**** species number 1 in input file 
Mechanism: chem.cti
Species: N-C6H14
Total number of atoms 20
Standard state values:
Cp/R                17.2051
H/RT                -67.7218
S/R                 46.6834
Delta H_f0 (kJ/mol) -167.8793
S_0         (J/mol) 388.1477
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        17.2977
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        54.4814
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        58
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.094e-07
Jump in CP at midpoint = -0.00030359
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 2.2027e-13
Jump in CP at midpoint = -6.201e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -6.201e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.037256
Maximum difference in H/RT 0.0037256
Maximum difference in S/R 0.0064298
Writing NASA (Chemkin II) format .dat file for species N-C6H14
**** species number 2 in input file 
Mechanism: chem.cti
Species: C6H12
Total number of atoms 18
Standard state values:
Cp/R                15.6607
H/RT                -21.7918
S/R                 46.1047
Delta H_f0 (kJ/mol) -54.021
S_0         (J/mol) 383.3356
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        15.7444
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        49.0843
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        52
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 9.2909e-08
Jump in CP at midpoint = -0.00025784
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.8296e-13
Jump in CP at midpoint = -5.2668e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -5.2668e-10
Jump at Tmid in H/RT 7.1054e-15
Jump at Tmid  in S/R 7.1054e-15
Maximum difference in Cp/R 0.03499
Maximum difference in H/RT 0.0035323
Maximum difference in S/R 0.0061107
Writing NASA (Chemkin II) format .dat file for species C6H12
**** species number 3 in input file 
Mechanism: chem.cti
Species: C6H13O
Total number of atoms 20
Standard state values:
Cp/R                18.2844
H/RT                -40.444
S/R                 51.998
Delta H_f0 (kJ/mol) -100.2589
S_0         (J/mol) 432.3353
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        18.3775
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        54.5434
Midpoint fit temperature (K) = 1391
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        58
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 5.5063e-07
Jump in CP at midpoint = -0.00074101
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.7251e-13
Jump in CP at midpoint = -1.3103e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.3103e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.043722
Maximum difference in H/RT 0.0045617
Maximum difference in S/R 0.0078869
Writing NASA (Chemkin II) format .dat file for species C6H13O
**** species number 4 in input file 
Mechanism: chem.cti
Species: C6H13O2
Total number of atoms 21
Standard state values:
Cp/R                20.3917
H/RT                -45.1028
S/R                 56.8395
Delta H_f0 (kJ/mol) -111.808
S_0         (J/mol) 472.5895
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        20.4822
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        57.0441
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        61
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.3907e-07
Jump in CP at midpoint = 0.000866
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.816e-14
Jump in CP at midpoint = 4.9594e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.9594e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.042836
Maximum difference in H/RT 0.0044386
Maximum difference in S/R 0.0075696
Writing NASA (Chemkin II) format .dat file for species C6H13O2
**** species number 5 in input file 
Mechanism: chem.cti
Species: C6H12OOH
Total number of atoms 21
Standard state values:
Cp/R                20.5798
H/RT                -23.9187
S/R                 59.6427
Delta H_f0 (kJ/mol) -59.2934
S_0         (J/mol) 495.8968
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        20.6714
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        56.5016
Midpoint fit temperature (K) = 1381
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        61
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.3611e-07
Jump in CP at midpoint = 0.00084753
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -8.5265e-14
Jump in CP at midpoint = 4.8532e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.8532e-10
Jump at Tmid in H/RT 7.1054e-15
Jump at Tmid  in S/R 7.1054e-15
Maximum difference in Cp/R 0.014631
Maximum difference in H/RT 0.0011504
Maximum difference in S/R 0.0018837
Writing NASA (Chemkin II) format .dat file for species C6H12OOH
**** species number 6 in input file 
Mechanism: chem.cti
Species: C6H12O
Total number of atoms 19
Standard state values:
Cp/R                17.1272
H/RT                -61.8982
S/R                 47.5893
Delta H_f0 (kJ/mol) -153.443
S_0         (J/mol) 395.6797
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        17.2229
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        52.1661
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        55
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.1173e-06
Jump in CP at midpoint = -0.0018578
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.4282e-12
Jump in CP at midpoint = -3.9448e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -3.9448e-09
Jump at Tmid in H/RT -1.4211e-14
Jump at Tmid  in S/R -1.4211e-14
Maximum difference in Cp/R 0.079431
Maximum difference in H/RT 0.0088681
Maximum difference in S/R 0.015519
Writing NASA (Chemkin II) format .dat file for species C6H12O
**** species number 7 in input file 
Mechanism: chem.cti
Species: C6H13O4
Total number of atoms 23
Standard state values:
Cp/R                23.5589
H/RT                -86.7453
S/R                 65.4957
Delta H_f0 (kJ/mol) -215.0378
S_0         (J/mol) 544.5617
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        23.66
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        62.071
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        67
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.7627e-07
Jump in CP at midpoint = 0.0010979
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -9.5923e-14
Jump in CP at midpoint = 6.2877e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 6.2877e-10
Jump at Tmid in H/RT 3.5527e-15
Jump at Tmid  in S/R 3.5527e-15
Maximum difference in Cp/R 0.050423
Maximum difference in H/RT 0.0053502
Maximum difference in S/R 0.0091519
Writing NASA (Chemkin II) format .dat file for species C6H13O4
**** species number 8 in input file 
Mechanism: chem.cti
Species: N-C12H26
Total number of atoms 38
Standard state values:
Cp/R                33.6688
H/RT                -117.6522
S/R                 75.1283
Delta H_f0 (kJ/mol) -291.6548
S_0         (J/mol) 624.6517
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        33.8512
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        104.555
Midpoint fit temperature (K) = 1391
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        112
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 3.1111e-07
Jump in CP at midpoint = -0.00086326
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 6.1817e-13
Jump in CP at midpoint = -1.7631e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.7631e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.068238
Maximum difference in H/RT 0.0068496
Maximum difference in S/R 0.011791
Writing NASA (Chemkin II) format .dat file for species N-C12H26
**** species number 9 in input file 
Mechanism: chem.cti
Species: N-C10H21
Total number of atoms 31
Standard state values:
Cp/R                27.7964
H/RT                -18.2977
S/R                 68.0574
Delta H_f0 (kJ/mol) -45.3592
S_0         (J/mol) 565.8605
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        27.9429
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        84.9367
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        91
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.9691e-06
Jump in CP at midpoint = 0.00040051
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 6.2883e-13
Jump in CP at midpoint = -1.7389e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.7389e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.05589
Maximum difference in H/RT 0.0056153
Maximum difference in S/R 0.0096758
Writing NASA (Chemkin II) format .dat file for species N-C10H21
**** species number 10 in input file 
Mechanism: chem.cti
Species: N-C9H19
Total number of atoms 28
Standard state values:
Cp/R                25.0526
H/RT                -9.976
S/R                 63.3166
Delta H_f0 (kJ/mol) -24.73
S_0         (J/mol) 526.4431
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        25.1842
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        76.5911
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        82
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 8.307e-07
Jump in CP at midpoint = -0.00033635
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.5119e-13
Jump in CP at midpoint = -1.2545e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.2545e-09
Jump at Tmid in H/RT -7.1054e-15
Jump at Tmid  in S/R -7.1054e-15
Maximum difference in Cp/R 0.050722
Maximum difference in H/RT 0.0050965
Maximum difference in S/R 0.0087827
Writing NASA (Chemkin II) format .dat file for species N-C9H19
**** species number 11 in input file 
Mechanism: chem.cti
Species: N-C8H17
Total number of atoms 25
Standard state values:
Cp/R                22.3089
H/RT                -1.6542
S/R                 58.5757
Delta H_f0 (kJ/mol) -4.1007
S_0         (J/mol) 487.0258
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        22.4255
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        68.2454
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        73
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 9.7013e-07
Jump in CP at midpoint = -0.00042136
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 9.0239e-13
Jump in CP at midpoint = -2.4919e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.4919e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.045549
Maximum difference in H/RT 0.0045769
Maximum difference in S/R 0.0078908
Writing NASA (Chemkin II) format .dat file for species N-C8H17
**** species number 12 in input file 
Mechanism: chem.cti
Species: C12H25
Total number of atoms 37
Standard state values:
Cp/R                32.8662
H/RT                -39.4143
S/R                 78.0523
Delta H_f0 (kJ/mol) -97.7064
S_0         (J/mol) 648.9632
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        33.0403
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        101.5508
Midpoint fit temperature (K) = 1385
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        109
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 5.9026e-08
Jump in CP at midpoint = -0.00037177
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.2633e-14
Jump in CP at midpoint = -2.1394e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.1394e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.045717
Maximum difference in H/RT 0.0043659
Maximum difference in S/R 0.0073928
Writing NASA (Chemkin II) format .dat file for species C12H25
**** species number 13 in input file 
Mechanism: chem.cti
Species: C9H18
Total number of atoms 27
Standard state values:
Cp/R                24.028
H/RT                -41.7944
S/R                 60.7499
Delta H_f0 (kJ/mol) -103.6065
S_0         (J/mol) 505.1025
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        24.1586
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        74.1293
Midpoint fit temperature (K) = 1392
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 2.5718e-07
Jump in CP at midpoint = -0.00071358
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 5.2225e-13
Jump in CP at midpoint = -1.4574e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.4574e-09
Jump at Tmid in H/RT -1.4211e-14
Jump at Tmid  in S/R -1.4211e-14
Maximum difference in Cp/R 0.053034
Maximum difference in H/RT 0.0054733
Maximum difference in S/R 0.00942
Writing NASA (Chemkin II) format .dat file for species C9H18
**** species number 14 in input file 
Mechanism: chem.cti
Species: C10H20
Total number of atoms 30
Standard state values:
Cp/R                26.7721
H/RT                -50.1161
S/R                 65.4907
Delta H_f0 (kJ/mol) -124.2357
S_0         (J/mol) 544.5199
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        26.9176
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        82.4748
Midpoint fit temperature (K) = 1392
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        88
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 6.2402e-07
Jump in CP at midpoint = -0.00086268
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 7.7804e-13
Jump in CP at midpoint = -2.177e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.177e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.058202
Maximum difference in H/RT 0.0059911
Maximum difference in S/R 0.010312
Writing NASA (Chemkin II) format .dat file for species C10H20
**** species number 15 in input file 
Mechanism: chem.cti
Species: C12H24
Total number of atoms 36
Standard state values:
Cp/R                32.2604
H/RT                -66.7596
S/R                 74.9723
Delta H_f0 (kJ/mol) -165.4942
S_0         (J/mol) 623.3545
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        32.4358
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        99.1656
Midpoint fit temperature (K) = 1391
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        106
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.9656e-06
Jump in CP at midpoint = -0.0011548
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 9.3792e-13
Jump in CP at midpoint = -2.6116e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.6116e-09
Jump at Tmid in H/RT -2.1316e-14
Jump at Tmid  in S/R -2.1316e-14
Maximum difference in Cp/R 0.068534
Maximum difference in H/RT 0.0070272
Maximum difference in S/R 0.012093
Writing NASA (Chemkin II) format .dat file for species C12H24
**** species number 16 in input file 
Mechanism: chem.cti
Species: C12H25O
Total number of atoms 38
Standard state values:
Cp/R                34.8418
H/RT                -90.3745
S/R                 80.4429
Delta H_f0 (kJ/mol) -224.0344
S_0         (J/mol) 668.8393
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        35.0229
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        104.2571
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        112
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 4.5122e-07
Jump in CP at midpoint = -0.00045016
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.0587e-12
Jump in CP at midpoint = -2.9577e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.9577e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.087396
Maximum difference in H/RT 0.0090811
Maximum difference in S/R 0.01576
Writing NASA (Chemkin II) format .dat file for species C12H25O
**** species number 17 in input file 
Mechanism: chem.cti
Species: C8H15
Total number of atoms 23
Standard state values:
Cp/R                20.1781
H/RT                40.0895
S/R                 58.0121
Delta H_f0 (kJ/mol) 99.3802
S_0         (J/mol) 482.3392
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        20.2861
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        62.7928
Midpoint fit temperature (K) = 1385
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        67
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 4.6996e-08
Jump in CP at midpoint = -0.00029539
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 2.8422e-14
Jump in CP at midpoint = -1.6982e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.6982e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.029872
Maximum difference in H/RT 0.0028759
Maximum difference in S/R 0.0048919
Writing NASA (Chemkin II) format .dat file for species C8H15
**** species number 18 in input file 
Mechanism: chem.cti
Species: C12H23
Total number of atoms 35
Standard state values:
Cp/R                31.1713
H/RT                6.8026
S/R                 76.9753
Delta H_f0 (kJ/mol) 16.8633
S_0         (J/mol) 640.0086
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        31.3391
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        96.1842
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        103
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 9.4945e-08
Jump in CP at midpoint = -0.00059582
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 5.3291e-14
Jump in CP at midpoint = -3.4227e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -3.4227e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.048981
Maximum difference in H/RT 0.0048363
Maximum difference in S/R 0.0081672
Writing NASA (Chemkin II) format .dat file for species C12H23
**** species number 19 in input file 
Mechanism: chem.cti
Species: C9H17
Total number of atoms 26
Standard state values:
Cp/R                22.9217
H/RT                31.7678
S/R                 62.7529
Delta H_f0 (kJ/mol) 78.751
S_0         (J/mol) 521.7566
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        23.0447
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        71.1378
Midpoint fit temperature (K) = 1385
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        76
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 5.9215e-08
Jump in CP at midpoint = -0.00037194
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 3.5527e-14
Jump in CP at midpoint = -2.1377e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.1377e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.03477
Maximum difference in H/RT 0.0033882
Maximum difference in S/R 0.0057604
Writing NASA (Chemkin II) format .dat file for species C9H17
**** species number 20 in input file 
Mechanism: chem.cti
Species: C12H25O2
Total number of atoms 39
Standard state values:
Cp/R                36.9084
H/RT                -97.042
S/R                 85.1233
Delta H_f0 (kJ/mol) -240.5629
S_0         (J/mol) 707.7545
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        37.0868
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        106.7492
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        115
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -9.4676e-08
Jump in CP at midpoint = 0.0005872
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -6.3949e-14
Jump in CP at midpoint = 3.3577e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 3.3577e-10
Jump at Tmid in H/RT 1.4211e-14
Jump at Tmid  in S/R 1.4211e-14
Maximum difference in Cp/R 0.088944
Maximum difference in H/RT 0.0093513
Maximum difference in S/R 0.015972
Writing NASA (Chemkin II) format .dat file for species C12H25O2
**** species number 21 in input file 
Mechanism: chem.cti
Species: C12H24OOH
Total number of atoms 39
Standard state values:
Cp/R                37.1032
H/RT                -75.1826
S/R                 87.9366
Delta H_f0 (kJ/mol) -186.3745
S_0         (J/mol) 731.1454
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        37.2835
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        106.6617
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        115
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -7.9664e-08
Jump in CP at midpoint = 0.00049347
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -5.6843e-14
Jump in CP at midpoint = 2.8196e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 2.8196e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.056307
Maximum difference in H/RT 0.005554
Maximum difference in S/R 0.0093843
Writing NASA (Chemkin II) format .dat file for species C12H24OOH
**** species number 22 in input file 
Mechanism: chem.cti
Species: C12H24O
Total number of atoms 37
Standard state values:
Cp/R                33.6262
H/RT                -119.1883
S/R                 76.6532
Delta H_f0 (kJ/mol) -295.4626
S_0         (J/mol) 637.3305
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        33.8161
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        102.3345
Midpoint fit temperature (K) = 1395
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        109
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 6.2751e-07
Jump in CP at midpoint = -0.001741
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.279e-12
Jump in CP at midpoint = -3.5556e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -3.5556e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.092921
Maximum difference in H/RT 0.01007
Maximum difference in S/R 0.017282
Writing NASA (Chemkin II) format .dat file for species C12H24O
**** species number 23 in input file 
Mechanism: chem.cti
Species: C12H24O3
Total number of atoms 39
Standard state values:
Cp/R                38.5031
H/RT                -187.8722
S/R                 87.1968
Delta H_f0 (kJ/mol) -465.727
S_0         (J/mol) 724.9943
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        38.6929
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        106.8388
Midpoint fit temperature (K) = 1394
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        115
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -3.7996e-09
Jump in CP at midpoint = 1.0279e-05
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.1054e-15
Jump in CP at midpoint = 2.079e-11
Result of optimization after adjustment
Jump at Tmid in Cp/R 2.079e-11
Jump at Tmid in H/RT 2.8422e-14
Jump at Tmid  in S/R 2.8422e-14
Maximum difference in Cp/R 0.092718
Maximum difference in H/RT 0.010025
Maximum difference in S/R 0.017239
Writing NASA (Chemkin II) format .dat file for species C12H24O3
**** species number 24 in input file 
Mechanism: chem.cti
Species: C8H17O2
Total number of atoms 27
Standard state values:
Cp/R                25.9032
H/RT                -63.755
S/R                 66.16
Delta H_f0 (kJ/mol) -158.0459
S_0         (J/mol) 550.0852
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        26.0232
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        73.3217
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.2428e-07
Jump in CP at midpoint = 0.00077311
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.1054e-14
Jump in CP at midpoint = 4.4255e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.4255e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.055011
Maximum difference in H/RT 0.0058098
Maximum difference in S/R 0.0099513
Writing NASA (Chemkin II) format .dat file for species C8H17O2
**** species number 25 in input file 
Mechanism: chem.cti
Species: C8H16OOH
Total number of atoms 27
Standard state values:
Cp/R                26.0842
H/RT                -41.8957
S/R                 68.9733
Delta H_f0 (kJ/mol) -103.8575
S_0         (J/mol) 573.4761
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        26.2054
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        73.2229
Midpoint fit temperature (K) = 1386
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.1624e-07
Jump in CP at midpoint = 0.0007229
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.1054e-14
Jump in CP at midpoint = 4.1374e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.1374e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.028114
Maximum difference in H/RT 0.0025901
Maximum difference in S/R 0.004345
Writing NASA (Chemkin II) format .dat file for species C8H16OOH
**** species number 26 in input file 
Mechanism: chem.cti
Species: C8H17O4
Total number of atoms 29
Standard state values:
Cp/R                29.9999
H/RT                -105.3637
S/R                 74.6301
Delta H_f0 (kJ/mol) -261.1921
S_0         (J/mol) 620.5091
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        30.132
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        78.4197
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        85
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.8979e-07
Jump in CP at midpoint = 0.0011816
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -1.0658e-13
Jump in CP at midpoint = 6.7661e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 6.7661e-10
Jump at Tmid in H/RT 3.5527e-15
Jump at Tmid  in S/R 3.5527e-15
Maximum difference in Cp/R 0.042567
Maximum difference in H/RT 0.004272
Maximum difference in S/R 0.0072617
Writing NASA (Chemkin II) format .dat file for species C8H17O4
**** species number 27 in input file 
Mechanism: chem.cti
Species: C8H16O3
Total number of atoms 27
Standard state values:
Cp/R                27.4677
H/RT                -154.5852
S/R                 68.2335
Delta H_f0 (kJ/mol) -383.2101
S_0         (J/mol) 567.325
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        27.5989
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        73.4061
Midpoint fit temperature (K) = 1395
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.402e-06
Jump in CP at midpoint = -3.2555e-05
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -6.3949e-14
Jump in CP at midpoint = 1.6252e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 1.6252e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.064711
Maximum difference in H/RT 0.0070818
Maximum difference in S/R 0.012156
Writing NASA (Chemkin II) format .dat file for species C8H16O3
**** species number 28 in input file 
Mechanism: chem.cti
Species: C6H11
Total number of atoms 17
Standard state values:
Cp/R                14.7421
H/RT                35.0425
S/R                 44.3785
Delta H_f0 (kJ/mol) 86.8688
S_0         (J/mol) 368.983
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        14.825
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        46.2533
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        49
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 7.9487e-08
Jump in CP at midpoint = -0.00049766
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.6185e-14
Jump in CP at midpoint = -2.8566e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.8566e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.041538
Maximum difference in H/RT 0.0044809
Maximum difference in S/R 0.0076922
Writing NASA (Chemkin II) format .dat file for species C6H11
Wrote 1
Wrote 0
**** species number 1 in input file 
Mechanism: chem.cti
Species: N-C6H14
Total number of atoms 20
Standard state values:
Cp/R                17.2051
H/RT                -67.7218
S/R                 46.6834
Delta H_f0 (kJ/mol) -167.8793
S_0         (J/mol) 388.1477
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        17.2977
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        54.4814
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        58
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.094e-07
Jump in CP at midpoint = -0.00030359
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 2.2027e-13
Jump in CP at midpoint = -6.201e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -6.201e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.037256
Maximum difference in H/RT 0.0037256
Maximum difference in S/R 0.0064298
Writing NASA (Chemkin II) format .dat file for species N-C6H14
**** species number 2 in input file 
Mechanism: chem.cti
Species: C6H12
Total number of atoms 18
Standard state values:
Cp/R                15.6607
H/RT                -21.7918
S/R                 46.1047
Delta H_f0 (kJ/mol) -54.021
S_0         (J/mol) 383.3356
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        15.7444
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        49.0843
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        52
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 9.2909e-08
Jump in CP at midpoint = -0.00025784
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.8296e-13
Jump in CP at midpoint = -5.2668e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -5.2668e-10
Jump at Tmid in H/RT 7.1054e-15
Jump at Tmid  in S/R 7.1054e-15
Maximum difference in Cp/R 0.03499
Maximum difference in H/RT 0.0035323
Maximum difference in S/R 0.0061107
Writing NASA (Chemkin II) format .dat file for species C6H12
**** species number 3 in input file 
Mechanism: chem.cti
Species: C6H13O
Total number of atoms 20
Standard state values:
Cp/R                18.2844
H/RT                -40.444
S/R                 51.998
Delta H_f0 (kJ/mol) -100.2589
S_0         (J/mol) 432.3353
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        18.3775
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        54.5434
Midpoint fit temperature (K) = 1391
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        58
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 5.5063e-07
Jump in CP at midpoint = -0.00074101
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.7251e-13
Jump in CP at midpoint = -1.3103e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.3103e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.043722
Maximum difference in H/RT 0.0045617
Maximum difference in S/R 0.0078869
Writing NASA (Chemkin II) format .dat file for species C6H13O
**** species number 4 in input file 
Mechanism: chem.cti
Species: C6H13O2
Total number of atoms 21
Standard state values:
Cp/R                20.3917
H/RT                -45.1028
S/R                 56.8395
Delta H_f0 (kJ/mol) -111.808
S_0         (J/mol) 472.5895
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        20.4822
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        57.0441
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        61
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.3907e-07
Jump in CP at midpoint = 0.000866
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.816e-14
Jump in CP at midpoint = 4.9594e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.9594e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.042836
Maximum difference in H/RT 0.0044386
Maximum difference in S/R 0.0075696
Writing NASA (Chemkin II) format .dat file for species C6H13O2
**** species number 5 in input file 
Mechanism: chem.cti
Species: C6H12OOH
Total number of atoms 21
Standard state values:
Cp/R                20.5798
H/RT                -23.9187
S/R                 59.6427
Delta H_f0 (kJ/mol) -59.2934
S_0         (J/mol) 495.8968
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        20.6714
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        56.5016
Midpoint fit temperature (K) = 1381
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        61
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.3611e-07
Jump in CP at midpoint = 0.00084753
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -8.5265e-14
Jump in CP at midpoint = 4.8532e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.8532e-10
Jump at Tmid in H/RT 7.1054e-15
Jump at Tmid  in S/R 7.1054e-15
Maximum difference in Cp/R 0.014631
Maximum difference in H/RT 0.0011504
Maximum difference in S/R 0.0018837
Writing NASA (Chemkin II) format .dat file for species C6H12OOH
**** species number 6 in input file 
Mechanism: chem.cti
Species: C6H12O
Total number of atoms 19
Standard state values:
Cp/R                17.1272
H/RT                -61.8982
S/R                 47.5893
Delta H_f0 (kJ/mol) -153.443
S_0         (J/mol) 395.6797
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        17.2229
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        52.1661
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        55
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.1173e-06
Jump in CP at midpoint = -0.0018578
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.4282e-12
Jump in CP at midpoint = -3.9448e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -3.9448e-09
Jump at Tmid in H/RT -1.4211e-14
Jump at Tmid  in S/R -1.4211e-14
Maximum difference in Cp/R 0.079431
Maximum difference in H/RT 0.0088681
Maximum difference in S/R 0.015519
Writing NASA (Chemkin II) format .dat file for species C6H12O
**** species number 7 in input file 
Mechanism: chem.cti
Species: C6H13O4
Total number of atoms 23
Standard state values:
Cp/R                23.5589
H/RT                -86.7453
S/R                 65.4957
Delta H_f0 (kJ/mol) -215.0378
S_0         (J/mol) 544.5617
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        23.66
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        62.071
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        67
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.7627e-07
Jump in CP at midpoint = 0.0010979
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -9.5923e-14
Jump in CP at midpoint = 6.2877e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 6.2877e-10
Jump at Tmid in H/RT 3.5527e-15
Jump at Tmid  in S/R 3.5527e-15
Maximum difference in Cp/R 0.050423
Maximum difference in H/RT 0.0053502
Maximum difference in S/R 0.0091519
Writing NASA (Chemkin II) format .dat file for species C6H13O4
**** species number 8 in input file 
Mechanism: chem.cti
Species: N-C12H26
Total number of atoms 38
Standard state values:
Cp/R                33.6688
H/RT                -117.6522
S/R                 75.1283
Delta H_f0 (kJ/mol) -291.6548
S_0         (J/mol) 624.6517
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        33.8512
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        104.555
Midpoint fit temperature (K) = 1391
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        112
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 3.1111e-07
Jump in CP at midpoint = -0.00086326
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 6.1817e-13
Jump in CP at midpoint = -1.7631e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.7631e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.068238
Maximum difference in H/RT 0.0068496
Maximum difference in S/R 0.011791
Writing NASA (Chemkin II) format .dat file for species N-C12H26
**** species number 9 in input file 
Mechanism: chem.cti
Species: N-C10H21
Total number of atoms 31
Standard state values:
Cp/R                27.7964
H/RT                -18.2977
S/R                 68.0574
Delta H_f0 (kJ/mol) -45.3592
S_0         (J/mol) 565.8605
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        27.9429
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        84.9367
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        91
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.9691e-06
Jump in CP at midpoint = 0.00040051
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 6.2883e-13
Jump in CP at midpoint = -1.7389e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.7389e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.05589
Maximum difference in H/RT 0.0056153
Maximum difference in S/R 0.0096758
Writing NASA (Chemkin II) format .dat file for species N-C10H21
**** species number 10 in input file 
Mechanism: chem.cti
Species: N-C9H19
Total number of atoms 28
Standard state values:
Cp/R                25.0526
H/RT                -9.976
S/R                 63.3166
Delta H_f0 (kJ/mol) -24.73
S_0         (J/mol) 526.4431
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        25.1842
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        76.5911
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        82
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 8.307e-07
Jump in CP at midpoint = -0.00033635
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.5119e-13
Jump in CP at midpoint = -1.2545e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.2545e-09
Jump at Tmid in H/RT -7.1054e-15
Jump at Tmid  in S/R -7.1054e-15
Maximum difference in Cp/R 0.050722
Maximum difference in H/RT 0.0050965
Maximum difference in S/R 0.0087827
Writing NASA (Chemkin II) format .dat file for species N-C9H19
**** species number 11 in input file 
Mechanism: chem.cti
Species: N-C8H17
Total number of atoms 25
Standard state values:
Cp/R                22.3089
H/RT                -1.6542
S/R                 58.5757
Delta H_f0 (kJ/mol) -4.1007
S_0         (J/mol) 487.0258
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        22.4255
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        68.2454
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        73
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 9.7013e-07
Jump in CP at midpoint = -0.00042136
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 9.0239e-13
Jump in CP at midpoint = -2.4919e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.4919e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.045549
Maximum difference in H/RT 0.0045769
Maximum difference in S/R 0.0078908
Writing NASA (Chemkin II) format .dat file for species N-C8H17
**** species number 12 in input file 
Mechanism: chem.cti
Species: C12H25
Total number of atoms 37
Standard state values:
Cp/R                32.8662
H/RT                -39.4143
S/R                 78.0523
Delta H_f0 (kJ/mol) -97.7064
S_0         (J/mol) 648.9632
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        33.0403
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        101.5508
Midpoint fit temperature (K) = 1385
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        109
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 5.9026e-08
Jump in CP at midpoint = -0.00037177
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.2633e-14
Jump in CP at midpoint = -2.1394e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.1394e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.045717
Maximum difference in H/RT 0.0043659
Maximum difference in S/R 0.0073928
Writing NASA (Chemkin II) format .dat file for species C12H25
**** species number 13 in input file 
Mechanism: chem.cti
Species: C9H18
Total number of atoms 27
Standard state values:
Cp/R                24.028
H/RT                -41.7944
S/R                 60.7499
Delta H_f0 (kJ/mol) -103.6065
S_0         (J/mol) 505.1025
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        24.1586
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        74.1293
Midpoint fit temperature (K) = 1392
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 2.5718e-07
Jump in CP at midpoint = -0.00071358
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 5.2225e-13
Jump in CP at midpoint = -1.4574e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.4574e-09
Jump at Tmid in H/RT -1.4211e-14
Jump at Tmid  in S/R -1.4211e-14
Maximum difference in Cp/R 0.053034
Maximum difference in H/RT 0.0054733
Maximum difference in S/R 0.00942
Writing NASA (Chemkin II) format .dat file for species C9H18
**** species number 14 in input file 
Mechanism: chem.cti
Species: C10H20
Total number of atoms 30
Standard state values:
Cp/R                26.7721
H/RT                -50.1161
S/R                 65.4907
Delta H_f0 (kJ/mol) -124.2357
S_0         (J/mol) 544.5199
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        26.9176
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        82.4748
Midpoint fit temperature (K) = 1392
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        88
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 6.2402e-07
Jump in CP at midpoint = -0.00086268
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 7.7804e-13
Jump in CP at midpoint = -2.177e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.177e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.058202
Maximum difference in H/RT 0.0059911
Maximum difference in S/R 0.010312
Writing NASA (Chemkin II) format .dat file for species C10H20
**** species number 15 in input file 
Mechanism: chem.cti
Species: C12H24
Total number of atoms 36
Standard state values:
Cp/R                32.2604
H/RT                -66.7596
S/R                 74.9723
Delta H_f0 (kJ/mol) -165.4942
S_0         (J/mol) 623.3545
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        32.4358
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        99.1656
Midpoint fit temperature (K) = 1391
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        106
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.9656e-06
Jump in CP at midpoint = -0.0011548
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 9.3792e-13
Jump in CP at midpoint = -2.6116e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.6116e-09
Jump at Tmid in H/RT -2.1316e-14
Jump at Tmid  in S/R -2.1316e-14
Maximum difference in Cp/R 0.068534
Maximum difference in H/RT 0.0070272
Maximum difference in S/R 0.012093
Writing NASA (Chemkin II) format .dat file for species C12H24
**** species number 16 in input file 
Mechanism: chem.cti
Species: C12H25O
Total number of atoms 38
Standard state values:
Cp/R                34.8418
H/RT                -90.3745
S/R                 80.4429
Delta H_f0 (kJ/mol) -224.0344
S_0         (J/mol) 668.8393
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        35.0229
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        104.2571
Midpoint fit temperature (K) = 1390
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        112
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 4.5122e-07
Jump in CP at midpoint = -0.00045016
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.0587e-12
Jump in CP at midpoint = -2.9577e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.9577e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.087396
Maximum difference in H/RT 0.0090811
Maximum difference in S/R 0.01576
Writing NASA (Chemkin II) format .dat file for species C12H25O
**** species number 17 in input file 
Mechanism: chem.cti
Species: C8H15
Total number of atoms 23
Standard state values:
Cp/R                20.1781
H/RT                40.0895
S/R                 58.0121
Delta H_f0 (kJ/mol) 99.3802
S_0         (J/mol) 482.3392
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        20.2861
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        62.7928
Midpoint fit temperature (K) = 1385
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        67
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 4.6996e-08
Jump in CP at midpoint = -0.00029539
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 2.8422e-14
Jump in CP at midpoint = -1.6982e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -1.6982e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.029872
Maximum difference in H/RT 0.0028759
Maximum difference in S/R 0.0048919
Writing NASA (Chemkin II) format .dat file for species C8H15
**** species number 18 in input file 
Mechanism: chem.cti
Species: C12H23
Total number of atoms 35
Standard state values:
Cp/R                31.1713
H/RT                6.8026
S/R                 76.9753
Delta H_f0 (kJ/mol) 16.8633
S_0         (J/mol) 640.0086
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        31.3391
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        96.1842
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        103
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 9.4945e-08
Jump in CP at midpoint = -0.00059582
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 5.3291e-14
Jump in CP at midpoint = -3.4227e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -3.4227e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.048981
Maximum difference in H/RT 0.0048363
Maximum difference in S/R 0.0081672
Writing NASA (Chemkin II) format .dat file for species C12H23
**** species number 19 in input file 
Mechanism: chem.cti
Species: C9H17
Total number of atoms 26
Standard state values:
Cp/R                22.9217
H/RT                31.7678
S/R                 62.7529
Delta H_f0 (kJ/mol) 78.751
S_0         (J/mol) 521.7566
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        23.0447
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        71.1378
Midpoint fit temperature (K) = 1385
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        76
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 5.9215e-08
Jump in CP at midpoint = -0.00037194
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 3.5527e-14
Jump in CP at midpoint = -2.1377e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.1377e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.03477
Maximum difference in H/RT 0.0033882
Maximum difference in S/R 0.0057604
Writing NASA (Chemkin II) format .dat file for species C9H17
**** species number 20 in input file 
Mechanism: chem.cti
Species: C12H25O2
Total number of atoms 39
Standard state values:
Cp/R                36.9084
H/RT                -97.042
S/R                 85.1233
Delta H_f0 (kJ/mol) -240.5629
S_0         (J/mol) 707.7545
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        37.0868
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        106.7492
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        115
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -9.4676e-08
Jump in CP at midpoint = 0.0005872
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -6.3949e-14
Jump in CP at midpoint = 3.3577e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 3.3577e-10
Jump at Tmid in H/RT 1.4211e-14
Jump at Tmid  in S/R 1.4211e-14
Maximum difference in Cp/R 0.088944
Maximum difference in H/RT 0.0093513
Maximum difference in S/R 0.015972
Writing NASA (Chemkin II) format .dat file for species C12H25O2
**** species number 21 in input file 
Mechanism: chem.cti
Species: C12H24OOH
Total number of atoms 39
Standard state values:
Cp/R                37.1032
H/RT                -75.1826
S/R                 87.9366
Delta H_f0 (kJ/mol) -186.3745
S_0         (J/mol) 731.1454
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        37.2835
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        106.6617
Midpoint fit temperature (K) = 1389
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        115
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -7.9664e-08
Jump in CP at midpoint = 0.00049347
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -5.6843e-14
Jump in CP at midpoint = 2.8196e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 2.8196e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.056307
Maximum difference in H/RT 0.005554
Maximum difference in S/R 0.0093843
Writing NASA (Chemkin II) format .dat file for species C12H24OOH
**** species number 22 in input file 
Mechanism: chem.cti
Species: C12H24O
Total number of atoms 37
Standard state values:
Cp/R                33.6262
H/RT                -119.1883
S/R                 76.6532
Delta H_f0 (kJ/mol) -295.4626
S_0         (J/mol) 637.3305
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        33.8161
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        102.3345
Midpoint fit temperature (K) = 1395
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        109
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 6.2751e-07
Jump in CP at midpoint = -0.001741
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 1.279e-12
Jump in CP at midpoint = -3.5556e-09
Result of optimization after adjustment
Jump at Tmid in Cp/R -3.5556e-09
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.092921
Maximum difference in H/RT 0.01007
Maximum difference in S/R 0.017282
Writing NASA (Chemkin II) format .dat file for species C12H24O
**** species number 23 in input file 
Mechanism: chem.cti
Species: C12H24O3
Total number of atoms 39
Standard state values:
Cp/R                38.5031
H/RT                -187.8722
S/R                 87.1968
Delta H_f0 (kJ/mol) -465.727
S_0         (J/mol) 724.9943
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        38.6929
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        106.8388
Midpoint fit temperature (K) = 1394
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        115
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -3.7996e-09
Jump in CP at midpoint = 1.0279e-05
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.1054e-15
Jump in CP at midpoint = 2.079e-11
Result of optimization after adjustment
Jump at Tmid in Cp/R 2.079e-11
Jump at Tmid in H/RT 2.8422e-14
Jump at Tmid  in S/R 2.8422e-14
Maximum difference in Cp/R 0.092718
Maximum difference in H/RT 0.010025
Maximum difference in S/R 0.017239
Writing NASA (Chemkin II) format .dat file for species C12H24O3
**** species number 24 in input file 
Mechanism: chem.cti
Species: C8H17O2
Total number of atoms 27
Standard state values:
Cp/R                25.9032
H/RT                -63.755
S/R                 66.16
Delta H_f0 (kJ/mol) -158.0459
S_0         (J/mol) 550.0852
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        26.0232
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        73.3217
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.2428e-07
Jump in CP at midpoint = 0.00077311
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.1054e-14
Jump in CP at midpoint = 4.4255e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.4255e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.055011
Maximum difference in H/RT 0.0058098
Maximum difference in S/R 0.0099513
Writing NASA (Chemkin II) format .dat file for species C8H17O2
**** species number 25 in input file 
Mechanism: chem.cti
Species: C8H16OOH
Total number of atoms 27
Standard state values:
Cp/R                26.0842
H/RT                -41.8957
S/R                 68.9733
Delta H_f0 (kJ/mol) -103.8575
S_0         (J/mol) 573.4761
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        26.2054
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        73.2229
Midpoint fit temperature (K) = 1386
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.1624e-07
Jump in CP at midpoint = 0.0007229
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -7.1054e-14
Jump in CP at midpoint = 4.1374e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 4.1374e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.028114
Maximum difference in H/RT 0.0025901
Maximum difference in S/R 0.004345
Writing NASA (Chemkin II) format .dat file for species C8H16OOH
**** species number 26 in input file 
Mechanism: chem.cti
Species: C8H17O4
Total number of atoms 29
Standard state values:
Cp/R                29.9999
H/RT                -105.3637
S/R                 74.6301
Delta H_f0 (kJ/mol) -261.1921
S_0         (J/mol) 620.5091
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        30.132
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        78.4197
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        85
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = -1.8979e-07
Jump in CP at midpoint = 0.0011816
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -1.0658e-13
Jump in CP at midpoint = 6.7661e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 6.7661e-10
Jump at Tmid in H/RT 3.5527e-15
Jump at Tmid  in S/R 3.5527e-15
Maximum difference in Cp/R 0.042567
Maximum difference in H/RT 0.004272
Maximum difference in S/R 0.0072617
Writing NASA (Chemkin II) format .dat file for species C8H17O4
**** species number 27 in input file 
Mechanism: chem.cti
Species: C8H16O3
Total number of atoms 27
Standard state values:
Cp/R                27.4677
H/RT                -154.5852
S/R                 68.2335
Delta H_f0 (kJ/mol) -383.2101
S_0         (J/mol) 567.325
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        27.5989
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        73.4061
Midpoint fit temperature (K) = 1395
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        79
Adjusted temperature for midpoint of fit = 1590
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 1.402e-06
Jump in CP at midpoint = -3.2555e-05
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = -6.3949e-14
Jump in CP at midpoint = 1.6252e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R 1.6252e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.064711
Maximum difference in H/RT 0.0070818
Maximum difference in S/R 0.012156
Writing NASA (Chemkin II) format .dat file for species C8H16O3
**** species number 28 in input file 
Mechanism: chem.cti
Species: C6H11
Total number of atoms 17
Standard state values:
Cp/R                14.7421
H/RT                35.0425
S/R                 44.3785
Delta H_f0 (kJ/mol) 86.8688
S_0         (J/mol) 368.983
Minimum fit temperature (K) = 300
Cp/R  (Tmin)        14.825
Maximum fit temperature (K) = 5000
Cp/R  (Tmax)        46.2533
Midpoint fit temperature (K) = 1388
geometry nonlinear
geometry nonlinear
Cp/R  (T_infty)        49
Adjusted temperature for midpoint of fit = 1580
Adjusted temperature for minimum of fit = 300
Refitting...
Optimization terminated.
Result of initial optimization
Difference in CP at T_zero = 7.9487e-08
Jump in CP at midpoint = -0.00049766
Optimization terminated.
Optimization terminated.
Result of re-running optimization
Difference at T_zero in CP = 4.6185e-14
Jump in CP at midpoint = -2.8566e-10
Result of optimization after adjustment
Jump at Tmid in Cp/R -2.8566e-10
Jump at Tmid in H/RT 0
Jump at Tmid  in S/R 0
Maximum difference in Cp/R 0.041538
Maximum difference in H/RT 0.0044809
Maximum difference in S/R 0.0076922
Writing NASA (Chemkin II) format .dat file for species C6H11
Wrote 28 NASA (chemkin) data file
Wrote 0 cti (cantera) data file