18
235
C                0.0000      0.0000      0.0000
C                1.5158      0.0000      0.0000
C                2.0591      1.4144      0.0000
C                1.5171      2.2065      1.1728
C                0.0013      2.2193      1.1610
C               -0.5553      0.8094      1.1544
H                3.1787      1.3865      0.0508
H                1.8900     -0.5445      0.9063
H                1.8916     -0.5483     -0.9024
H               -0.3710      0.4307     -0.9674
H               -0.3761     -1.0540      0.0635
H                1.8698      1.7417      2.1311
H                1.9069      3.2559      1.1353
H               -0.3773      2.7684      2.0618
H               -0.3611      2.7691      0.2531
H               -0.2976      0.3033      2.1219
H               -1.6733      0.8476      1.0818
H                1.7779      1.9242     -0.9586
18
286
C                0.0000      0.0000      0.0000
C                1.5142      0.0000      0.0000
C                2.1041      1.3951      0.0000
C                1.5080      2.2796      1.0740
C               -0.0041      2.2924      1.0153
C               -0.5666      0.8896      1.0886
H                3.2140      1.3278      0.1453
H                1.8780     -0.5488      0.9096
H                1.8862     -0.5593     -0.8980
H               -0.3795      0.3358     -0.9991
H               -0.3658     -1.0450      0.1843
H                1.8512      1.9295      2.0828
H                1.8921      3.3262      0.9451
H               -0.4074      2.9010      1.8664
H               -0.3372      2.7799      0.0617
H               -0.3264      0.4464      2.0911
H               -1.6832      0.9267      0.9963
H                1.9264      1.8677     -1.0028
18
HEAT OF FORMATION = -37.72036 KCAL = -157.82199 KJ; FOR REACTION COORDINATE = -165.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5138      0.0000      0.0000
C                2.1364      1.3811      0.0000
C                1.4968      2.3420      0.9775
C               -0.0110      2.3507      0.8663
C               -0.5781      0.9584      1.0224
H                3.2300      1.2890      0.2320
H                1.8701     -0.5521      0.9117
H                1.8830     -0.5676     -0.8944
H               -0.3840      0.2546     -1.0204
H               -0.3598     -1.0279      0.2754
H                1.8192      2.0915      2.0218
H                1.8837      3.3765      0.7704
H               -0.4419      3.0253      1.6512
H               -0.3077      2.7648     -0.1337
H               -0.3513      0.5800      2.0544
H               -1.6935      0.9890      0.9140
H                2.0526      1.8133     -1.0338
18
HEAT OF FORMATION = -36.83616 KCAL = -154.12251 KJ; FOR REACTION COORDINATE = -160.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5138      0.0000      0.0000
C                2.1670      1.3663      0.0000
C                1.4865      2.4059      0.8617
C               -0.0149      2.4083      0.6962
C               -0.5905      1.0333      0.9378
H                3.2342      1.2568      0.3292
H                1.8633     -0.5566      0.9126
H                1.8788     -0.5753     -0.8917
H               -0.3842      0.1649     -1.0385
H               -0.3564     -1.0014      0.3645
H                1.7786      2.2631      1.9347
H                1.8818      3.4185      0.5722
H               -0.4699      3.1412      1.4128
H               -0.2749      2.7458     -0.3416
H               -0.3859      0.7299      1.9987
H               -1.7036      1.0612      0.8054
H                2.1885      1.7481     -1.0576
18
HEAT OF FORMATION = -35.80020 KCAL = -149.78803 KJ; FOR REACTION COORDINATE = -155.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5133      0.0000      0.0000
C                2.1947      1.3527      0.0000
C                1.4718      2.4689      0.7200
C               -0.0206      2.4536      0.4931
C               -0.6067      1.1056      0.8382
H                3.2198      1.2374      0.4430
H                1.8573     -0.5602      0.9134
H                1.8752     -0.5830     -0.8886
H               -0.3829      0.0695     -1.0501
H               -0.3534     -0.9673      0.4510
H                1.7196      2.4420      1.8133
H                1.8792      3.4491      0.3460
H               -0.5036      3.2488      1.1194
H               -0.2381      2.6932     -0.5813
H               -0.4266      0.8911      1.9251
H               -1.7167      1.1235      0.6797
H                2.3377      1.6702     -1.0702
18
HEAT OF FORMATION = -34.71743 KCAL = -145.25772 KJ; FOR REACTION COORDINATE = -150.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5139      0.0000      0.0000
C                2.2198      1.3416      0.0000
C                1.4578      2.5262      0.5519
C               -0.0224      2.4826      0.2631
C               -0.6199      1.1759      0.7229
H                3.1834      1.2374      0.5669
H                1.8537     -0.5644      0.9128
H                1.8707     -0.5890     -0.8871
H               -0.3790     -0.0313     -1.0541
H               -0.3529     -0.9244      0.5337
H                1.6505      2.6212      1.6531
H                1.8842      3.4612      0.0932
H               -0.5323      3.3367      0.7804
H               -0.1944      2.6067     -0.8389
H               -0.4610      1.0634      1.8283
H               -1.7266      1.1803      0.5426
H                2.5004      1.5823     -1.0632
18
HEAT OF FORMATION = -33.69361 KCAL = -140.97405 KJ; FOR REACTION COORDINATE = -145.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5144      0.0000      0.0000
C                2.2402      1.3325      0.0000
C                1.4488      2.5715      0.3574
C               -0.0168      2.4908      0.0086
C               -0.6293      1.2413      0.5919
H                3.1179      1.2588      0.6971
H                1.8532     -0.5693      0.9103
H                1.8661     -0.5932     -0.8869
H               -0.3738     -0.1353     -1.0487
H               -0.3554     -0.8734      0.6115
H                1.5763      2.7947      1.4503
H                1.8998      3.4477     -0.1848
H               -0.5468      3.3968      0.4032
H               -0.1423      2.4860     -1.1062
H               -0.4902      1.2427      1.7053
H               -1.7331      1.2287      0.3927
H                2.6683      1.4871     -1.0296
18
HEAT OF FORMATION = -32.86477 KCAL = -137.50619 KJ; FOR REACTION COORDINATE = -140.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5154      0.0000      0.0000
C                2.2491      1.3280      0.0000
C                1.4499      2.6012      0.1761
C               -0.0007      2.4792     -0.2208
C               -0.6323      1.2919      0.4657
H                3.0359      1.2959      0.8017
H                1.8557     -0.5742      0.9065
H                1.8627     -0.5932     -0.8892
H               -0.3701     -0.2333     -1.0332
H               -0.3593     -0.8155      0.6842
H                1.5287      2.9469      1.2415
H                1.9263      3.4104     -0.4423
H               -0.5463      3.4182      0.0585
H               -0.0834      2.3608     -1.3332
H               -0.5126      1.3949      1.5765
H               -1.7325      1.2653      0.2496
H                2.8041      1.4072     -0.9763
18
HEAT OF FORMATION = -32.30529 KCAL = -135.16535 KJ; FOR REACTION COORDINATE = -135.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5153      0.0000      0.0000
C                2.2545      1.3254      0.0000
C                1.4506      2.6085     -0.0029
C                0.0141      2.4458     -0.4351
C               -0.6379      1.3268      0.3410
H                2.9371      1.3478      0.8929
H                1.8591     -0.5783      0.9021
H                1.8590     -0.5911     -0.8926
H               -0.3678     -0.3282     -1.0084
H               -0.3600     -0.7527      0.7527
H                1.4855      3.0680      1.0215
H                1.9525      3.3455     -0.6874
H               -0.5385      3.4065     -0.2639
H               -0.0347      2.2210     -1.5328
H               -0.5384      1.5274      1.4405
H               -1.7335      1.2846      0.1058
H                2.9267      1.3378     -0.9025
18
HEAT OF FORMATION = -32.08211 KCAL = -134.23155 KJ; FOR REACTION COORDINATE = -130.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5160      0.0000      0.0000
C                2.2534      1.3263      0.0000
C                1.4620      2.5999     -0.2167
C                0.0456      2.3808     -0.6915
C               -0.6373      1.3571      0.1858
H                2.7990      1.4237      0.9785
H                1.8656     -0.5818      0.8969
H                1.8566     -0.5863     -0.8975
H               -0.3611     -0.4315     -0.9725
H               -0.3673     -0.6820      0.8128
H                1.4347      3.1806      0.7450
H                2.0013      3.2447     -0.9613
H               -0.5150      3.3511     -0.6606
H                0.0461      2.0268     -1.7557
H               -0.5637      1.6733      1.2594
H               -1.7270      1.2952     -0.0705
H                3.0502      1.2702     -0.7922
18
HEAT OF FORMATION = -32.18014 KCAL = -134.64170 KJ; FOR REACTION COORDINATE = -125.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5159      0.0000      0.0000
C                2.2428      1.3316      0.0000
C                1.4804      2.5690     -0.4305
C                0.0829      2.2910     -0.9343
C               -0.6331      1.3704      0.0284
H                2.6332      1.5152      1.0389
H                1.8726     -0.5831      0.8924
H                1.8561     -0.5783     -0.9032
H               -0.3541     -0.5302     -0.9268
H               -0.3745     -0.6066      0.8663
H                1.3938      3.2621      0.4503
H                2.0601      3.1117     -1.2221
H               -0.4786      3.2561     -1.0332
H                0.1235      1.8190     -1.9503
H               -0.5847      1.7972      1.0644
H               -1.7163      1.2884     -0.2494
H                3.1493      1.2241     -0.6562
18
HEAT OF FORMATION = -32.54234 KCAL = -136.15714 KJ; FOR REACTION COORDINATE = -120.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5163      0.0000      0.0000
C                2.2281      1.3379      0.0000
C                1.5071      2.5259     -0.6069
C                0.1296      2.1951     -1.1355
C               -0.6244      1.3700     -0.1161
H                2.4800      1.5973      1.0653
H                1.8780     -0.5820      0.8905
H                1.8583     -0.5718     -0.9067
H               -0.3499     -0.6181     -0.8732
H               -0.3804     -0.5275      0.9136
H                1.3848      3.3144      0.1848
H                2.1266      2.9687     -1.4291
H               -0.4266      3.1432     -1.3548
H                0.2109      1.6239     -2.0970
H               -0.6068      1.8890      0.8778
H               -1.6988      1.2681     -0.4207
H                3.2108      1.2026     -0.5280
18
HEAT OF FORMATION = -33.09095 KCAL = -138.45251 KJ; FOR REACTION COORDINATE = -115.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5158      0.0000      0.0000
C                2.2085      1.3479      0.0000
C                1.5269      2.4759     -0.7496
C                0.1630      2.1079     -1.2900
C               -0.6207      1.3567     -0.2359
H                2.3381      1.6715      1.0694
H                1.8819     -0.5789      0.8901
H                1.8616     -0.5654     -0.9090
H               -0.3490     -0.6923     -0.8159
H               -0.3822     -0.4455      0.9555
H                1.3897      3.3414     -0.0457
H                2.1795      2.8262     -1.5905
H               -0.3859      3.0381     -1.5893
H                0.2686      1.4700     -2.2059
H               -0.6299      1.9491      0.7165
H               -1.6859      1.2327     -0.5624
H                3.2430      1.2054     -0.4137
18
HEAT OF FORMATION = -33.72467 KCAL = -141.10403 KJ; FOR REACTION COORDINATE = -110.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5168      0.0000      0.0000
C                2.1897      1.3569      0.0000
C                1.5591      2.4194     -0.8796
C                0.2045      2.0186     -1.4249
C               -0.6080      1.3408     -0.3428
H                2.2035      1.7393      1.0573
H                1.8851     -0.5753      0.8910
H                1.8667     -0.5600     -0.9103
H               -0.3514     -0.7551     -0.7559
H               -0.3853     -0.3602      0.9895
H                1.4172      3.3520     -0.2691
H                2.2444      2.6725     -1.7291
H               -0.3346      2.9262     -1.8013
H                0.3303      1.3187     -2.2922
H               -0.6367      1.9939      0.5685
H               -1.6654      1.1998     -0.6863
H                3.2619      1.2163     -0.3019
18
HEAT OF FORMATION = -34.36118 KCAL = -143.76717 KJ; FOR REACTION COORDINATE = -105.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5163      0.0000      0.0000
C                2.1637      1.3681      0.0000
C                1.5921      2.3547     -0.9998
C                0.2489      1.9240     -1.5527
C               -0.5984      1.3116     -0.4583
H                2.0613      1.8052      1.0305
H                1.8873     -0.5716      0.8916
H                1.8715     -0.5546     -0.9110
H               -0.3515     -0.8168     -0.6882
H               -0.3853     -0.2725      1.0169
H                1.4509      3.3438     -0.4866
H                2.3107      2.5094     -1.8450
H               -0.2770      2.8089     -1.9957
H                0.3962      1.1752     -2.3744
H               -0.6644      2.0248      0.4047
H               -1.6409      1.1396     -0.8320
H                3.2629      1.2427     -0.1889
18
HEAT OF FORMATION = -34.90759 KCAL = -146.05335 KJ; FOR REACTION COORDINATE = -100.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5165      0.0000      0.0000
C                2.1308      1.3836      0.0000
C                1.6209      2.2852     -1.1086
C                0.2890      1.8242     -1.6677
C               -0.5896      1.2751     -0.5638
H                1.9143      1.8682      0.9900
H                1.8899     -0.5650      0.8942
H                1.8791     -0.5497     -0.9102
H               -0.3537     -0.8692     -0.6186
H               -0.3851     -0.1828      1.0367
H                1.4843      3.3202     -0.6950
H                2.3725      2.3450     -1.9367
H               -0.2238      2.6824     -2.1741
H                0.4543      1.0293     -2.4414
H               -0.6867      2.0420      0.2490
H               -1.6192      1.0739     -0.9576
H                3.2455      1.2872     -0.0796
18
HEAT OF FORMATION = -35.29061 KCAL = -147.65592 KJ; FOR REACTION COORDINATE = -95.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5165      0.0000      0.0000
C                2.1066      1.3933      0.0000
C                1.6521      2.2265     -1.1845
C                0.3250      1.7553     -1.7473
C               -0.5812      1.2396     -0.6496
H                1.8078      1.9108      0.9505
H                1.8910     -0.5610      0.8959
H                1.8845     -0.5467     -0.9092
H               -0.3585     -0.9108     -0.5500
H               -0.3829     -0.0918      1.0498
H                1.5468      3.2945     -0.8565
H                2.4270      2.1989     -1.9935
H               -0.1741      2.5995     -2.2898
H                0.5010      0.9367     -2.4941
H               -0.7179      2.0419      0.1227
H               -1.5930      1.0054     -1.0708
H                3.2256      1.3220      0.0013
18
HEAT OF FORMATION = -35.43405 KCAL = -148.25608 KJ; FOR REACTION COORDINATE = -90.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5172      0.0000      0.0000
C                2.0773      1.4065      0.0000
C                1.6702      2.1770     -1.2416
C                0.3470      1.7015     -1.8103
C               -0.5806      1.1995     -0.7246
H                1.7076      1.9454      0.9123
H                1.8927     -0.5555      0.8982
H                1.8914     -0.5428     -0.9079
H               -0.3646     -0.9459     -0.4794
H               -0.3759      0.0000      1.0569
H                1.6029      3.2676     -0.9884
H                2.4629      2.0723     -2.0282
H               -0.1444      2.5392     -2.3700
H                0.5316      0.8738     -2.5446
H               -0.7643      2.0274      0.0092
H               -1.5714      0.9260     -1.1718
H                3.1955      1.3666      0.0682
18
HEAT OF FORMATION = -35.15942 KCAL = -147.10700 KJ; FOR REACTION COORDINATE = 145.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5156      0.0000      0.0000
C                2.0546      1.4144      0.0000
C                1.7020      2.1275     -1.2890
C                0.3535      1.7053     -1.8409
C               -0.5838      1.1625     -0.7812
H                1.6241      1.9733      0.8722
H                1.8923     -0.5523      0.8995
H                1.8944     -0.5396     -0.9074
H               -0.3637     -0.9686     -0.4335
H               -0.3754      0.0460      1.0560
H                1.7061      3.2341     -1.1049
H                2.4910      1.9225     -2.0597
H               -0.1413      2.5879     -2.3258
H                0.5031      0.9227     -2.6304
H               -0.8517      1.9895     -0.0727
H               -1.5271      0.8292     -1.2895
H                3.1678      1.3985      0.1299
18
HEAT OF FORMATION = -34.65585 KCAL = -145.00008 KJ; FOR REACTION COORDINATE = 140.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5146      0.0000      0.0000
C                2.0373      1.4215      0.0000
C                1.7148      2.1009     -1.3139
C                0.3587      1.7039     -1.8651
C               -0.5908      1.1184     -0.8376
H                1.5713      1.9887      0.8478
H                1.8925     -0.5491      0.9007
H                1.8971     -0.5376     -0.9067
H               -0.3634     -0.9907     -0.3809
H               -0.3726      0.0991      1.0537
H                1.7538      3.2126     -1.1676
H                2.5038      1.8452     -2.0696
H               -0.1397      2.6107     -2.3012
H                0.5011      0.9600     -2.6924
H               -0.9439      1.9393     -0.1600
H               -1.4823      0.7255     -1.3960
H                3.1459      1.4234      0.1640
18
HEAT OF FORMATION = -34.00290 KCAL = -142.26813 KJ; FOR REACTION COORDINATE = 135.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5134      0.0000      0.0000
C                2.0307      1.4231      0.0000
C                1.7309      2.0779     -1.3308
C                0.3657      1.7124     -1.8819
C               -0.5925      1.0736     -0.8936
H                1.5446      1.9987      0.8303
H                1.8908     -0.5482      0.9016
H                1.8975     -0.5379     -0.9058
H               -0.3645     -1.0092     -0.3276
H               -0.3703      0.1540      1.0481
H                1.8055      3.1914     -1.2135
H                2.5154      1.7779     -2.0753
H               -0.1351      2.6452     -2.2585
H                0.4991      1.0201     -2.7544
H               -1.0346      1.8783     -0.2488
H               -1.4264      0.6232     -1.4971
H                3.1357      1.4330      0.1859
18
HEAT OF FORMATION = -33.31678 KCAL = -139.39741 KJ; FOR REACTION COORDINATE = 130.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5119      0.0000      0.0000
C                2.0240      1.4250      0.0000
C                1.7237      2.0737     -1.3328
C                0.3444      1.7472     -1.8725
C               -0.6074      1.0347     -0.9275
H                1.5340      1.9997      0.8288
H                1.8895     -0.5467      0.9023
H                1.8981     -0.5371     -0.9053
H               -0.3632     -1.0223     -0.2875
H               -0.3654      0.1899      1.0446
H                1.8318      3.1860     -1.2276
H                2.4926      1.7440     -2.0815
H               -0.1623      2.7066     -2.1665
H                0.4604      1.1272     -2.8004
H               -1.1379      1.8043     -0.3063
H               -1.3785      0.5310     -1.5717
H                3.1284      1.4410      0.1873
18
HEAT OF FORMATION = -32.69707 KCAL = -136.80454 KJ; FOR REACTION COORDINATE = 125.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5114      0.0000      0.0000
C                2.0251      1.4232      0.0000
C                1.7082      2.0856     -1.3205
C                0.3086      1.8124     -1.8346
C               -0.6230      1.0079     -0.9462
H                1.5511      1.9934      0.8412
H                1.8876     -0.5465      0.9033
H                1.8977     -0.5393     -0.9040
H               -0.3624     -1.0300     -0.2603
H               -0.3604      0.2123      1.0425
H                1.8576      3.1932     -1.2145
H                2.4500      1.7342     -2.0874
H               -0.2009      2.7965     -2.0247
H                0.3933      1.2902     -2.8253
H               -1.2424      1.7235     -0.3417
H               -1.3269      0.4627     -1.6331
H                3.1331      1.4339      0.1692
18
HEAT OF FORMATION = -32.25889 KCAL = -134.97121 KJ; FOR REACTION COORDINATE = 120.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5110      0.0000      0.0000
C                2.0266      1.4215      0.0000
C                1.7027      2.0851     -1.3186
C                0.2877      1.8531     -1.8092
C               -0.6284      0.9710     -0.9799
H                1.5597      1.9917      0.8451
H                1.8857     -0.5467      0.9040
H                1.8970     -0.5408     -0.9033
H               -0.3639     -1.0385     -0.2215
H               -0.3572      0.2504      1.0355
H                1.8867      3.1886     -1.2252
H                2.4201      1.7048     -2.0952
H               -0.2211      2.8514     -1.9068
H                0.3473      1.4224     -2.8456
H               -1.3311      1.6346     -0.4063
H               -1.2608      0.3853     -1.7022
H                3.1359      1.4301      0.1612
18
HEAT OF FORMATION = -32.07744 KCAL = -134.21200 KJ; FOR REACTION COORDINATE = 115.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5109      0.0000      0.0000
C                2.0222      1.4226      0.0000
C                1.6968      2.0838     -1.3188
C                0.2672      1.8896     -1.7834
C               -0.6285      0.9354     -1.0140
H                1.5537      1.9931      0.8441
H                1.8858     -0.5453      0.9049
H                1.8977     -0.5411     -0.9027
H               -0.3654     -1.0451     -0.1844
H               -0.3547      0.2878      1.0267
H                1.9144      3.1822     -1.2414
H                2.3905      1.6732     -2.1019
H               -0.2397      2.8935     -1.7929
H                0.2997      1.5497     -2.8551
H               -1.4074      1.5456     -0.4791
H               -1.1851      0.3142     -1.7681
H                3.1315      1.4343      0.1613
18
HEAT OF FORMATION = -32.20434 KCAL = -134.74296 KJ; FOR REACTION COORDINATE = 110.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5104      0.0000      0.0000
C                2.0293      1.4191      0.0000
C                1.6782      2.0954     -1.3041
C                0.2313      1.9449     -1.7273
C               -0.6326      0.9101     -1.0332
H                1.5851      1.9842      0.8607
H                1.8838     -0.5466      0.9050
H                1.8960     -0.5436     -0.9020
H               -0.3672     -1.0487     -0.1590
H               -0.3516      0.3126      1.0210
H                1.9286      3.1871     -1.2305
H                2.3365      1.6686     -2.1092
H               -0.2701      2.9464     -1.6276
H                0.2239      1.7169     -2.8296
H               -1.4833      1.4504     -0.5321
H               -1.1113      0.2670     -1.8218
H                3.1423      1.4222      0.1348
18
HEAT OF FORMATION = -32.63798 KCAL = -136.55730 KJ; FOR REACTION COORDINATE = 105.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5097      0.0000      0.0000
C                2.0444      1.4119      0.0000
C                1.6577      2.1276     -1.2719
C                0.1933      2.0182     -1.6425
C               -0.6329      0.9008     -1.0402
H                1.6411      1.9657      0.8886
H                1.8821     -0.5492      0.9041
H                1.8917     -0.5455     -0.9030
H               -0.3693     -1.0490     -0.1511
H               -0.3515      0.3222      1.0182
H                1.9321      3.2122     -1.1819
H                2.2749      1.7074     -2.1126
H               -0.3010      3.0015     -1.4114
H                0.1360      1.9199     -2.7634
H               -1.5459      1.3654     -0.5720
H               -1.0305      0.2530     -1.8690
H                3.1616      1.3975      0.0948
18
HEAT OF FORMATION = -33.34283 KCAL = -139.50639 KJ; FOR REACTION COORDINATE = 100.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5106      0.0000      0.0000
C                2.0459      1.4116      0.0000
C                1.6421      2.1382     -1.2611
C                0.1661      2.0559     -1.5869
C               -0.6261      0.8784     -1.0620
H                1.6564      1.9607      0.8975
H                1.8830     -0.5489      0.9042
H                1.8917     -0.5458     -0.9031
H               -0.3702     -1.0514     -0.1295
H               -0.3517      0.3458      1.0103
H                1.9388      3.2172     -1.1780
H                2.2267      1.7059     -2.1186
H               -0.3211      3.0135     -1.2557
H                0.0680      2.0584     -2.7093
H               -1.5914      1.2797     -0.6416
H               -0.9407      0.2238     -1.9204
H                3.1646      1.3946      0.0780
18
HEAT OF FORMATION = -34.23848 KCAL = -143.25381 KJ; FOR REACTION COORDINATE = 95.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5110      0.0000      0.0000
C                2.0529      1.4087      0.0000
C                1.6354      2.1481     -1.2500
C                0.1487      2.0910     -1.5286
C               -0.6114      0.8618     -1.0840
H                1.6790      1.9536      0.9068
H                1.8826     -0.5491      0.9046
H                1.8900     -0.5488     -0.9023
H               -0.3732     -1.0517     -0.1133
H               -0.3555      0.3669      1.0010
H                1.9520      3.2215     -1.1724
H                2.1872      1.7073     -2.1242
H               -0.3277      3.0145     -1.0995
H                0.0093      2.1909     -2.6422
H               -1.6203      1.2029     -0.7155
H               -0.8395      0.2086     -1.9696
H                3.1725      1.3850      0.0621
18
HEAT OF FORMATION = -35.24500 KCAL = -147.46510 KJ; FOR REACTION COORDINATE = 90.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5112      0.0000      0.0000
C                2.0601      1.4062      0.0000
C                1.6184      2.1599     -1.2336
C                0.1227      2.1239     -1.4623
C               -0.6025      0.8486     -1.0989
H                1.7083      1.9461      0.9187
H                1.8833     -0.5510      0.9033
H                1.8876     -0.5476     -0.9045
H               -0.3745     -1.0524     -0.1013
H               -0.3571      0.3826      0.9944
H                1.9524      3.2281     -1.1593
H                2.1352      1.7152     -2.1270
H               -0.3405      3.0015     -0.9355
H               -0.0598      2.3183     -2.5571
H               -1.6460      1.1298     -0.7805
H               -0.7447      0.2057     -2.0093
H                3.1804      1.3764      0.0380
18
HEAT OF FORMATION = -36.26816 KCAL = -151.74596 KJ; FOR REACTION COORDINATE = 85.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5119      0.0000      0.0000
C                2.0655      1.4052      0.0000
C                1.5957      2.1805     -1.2108
C                0.0932      2.1584     -1.3861
C               -0.5924      0.8411     -1.1095
H                1.7400      1.9345      0.9345
H                1.8843     -0.5521      0.9023
H                1.8861     -0.5477     -0.9053
H               -0.3754     -1.0525     -0.0947
H               -0.3599      0.3918      0.9894
H                1.9415      3.2445     -1.1314
H                2.0777      1.7429     -2.1263
H               -0.3549      2.9760     -0.7597
H               -0.1355      2.4479     -2.4502
H               -1.6646      1.0609     -0.8437
H               -0.6484      0.2193     -2.0431
H                3.1863      1.3701      0.0085
18
HEAT OF FORMATION = -37.20527 KCAL = -155.66683 KJ; FOR REACTION COORDINATE = 80.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5127      0.0000      0.0000
C                2.0700      1.4045      0.0000
C                1.5704      2.2070     -1.1811
C                0.0621      2.1930     -1.3011
C               -0.5836      0.8398     -1.1150
H                1.7757      1.9207      0.9522
H                1.8856     -0.5519      0.9022
H                1.8857     -0.5477     -0.9058
H               -0.3753     -1.0525     -0.0942
H               -0.3630      0.3956      0.9864
H                1.9242      3.2672     -1.0903
H                2.0181      1.7860     -2.1210
H               -0.3671      2.9357     -0.5767
H               -0.2137      2.5744     -2.3230
H               -1.6759      1.0025     -0.8976
H               -0.5545      0.2503     -2.0700
H                3.1905      1.3637     -0.0253
18
HEAT OF FORMATION = -37.93698 KCAL = -158.72834 KJ; FOR REACTION COORDINATE = 75.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5136      0.0000      0.0000
C                2.0735      1.4039      0.0000
C                1.5422      2.2394     -1.1436
C                0.0296      2.2274     -1.2054
C               -0.5759      0.8446     -1.1155
H                1.8161      1.9044      0.9716
H                1.8872     -0.5505      0.9028
H                1.8861     -0.5476     -0.9059
H               -0.3744     -1.0525     -0.0999
H               -0.3663      0.3939      0.9855
H                1.9011      3.2960     -1.0351
H                1.9546      1.8441     -2.1099
H               -0.3753      2.8798     -0.3871
H               -0.2948      2.6985     -2.1726
H               -1.6825      0.9508     -0.9457
H               -0.4636      0.2991     -2.0893
H                3.1926      1.3578     -0.0632
18
HEAT OF FORMATION = -38.47390 KCAL = -160.97480 KJ; FOR REACTION COORDINATE = 70.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5143      0.0000      0.0000
C                2.0727      1.4065      0.0000
C                1.5394      2.2149     -1.1642
C                0.0252      2.2151     -1.1970
C               -0.5559      0.8183     -1.1470
H                1.8000      1.9154      0.9621
H                1.8885     -0.5517      0.9016
H                1.8856     -0.5472     -0.9066
H               -0.3766     -1.0531     -0.0753
H               -0.3707      0.4218      0.9713
H                1.9121      3.2696     -1.0919
H                1.9311      1.7846     -2.1237
H               -0.3631      2.8220     -0.3370
H               -0.3223      2.7225     -2.1359
H               -1.6711      0.8896     -1.0414
H               -0.3548      0.2854     -2.1135
H                3.1919      1.3662     -0.0533
18
HEAT OF FORMATION = -38.62079 KCAL = -161.58938 KJ; FOR REACTION COORDINATE = 66.00000 DEG
C                0.0000      0.0000      0.0000
C                1.5152      0.0000      0.0000
C                2.0658      1.4114      0.0000
C                1.5158      2.2171     -1.1593
C                0.0008      2.2167     -1.1613
C               -0.5509      0.8056     -1.1590
H                1.7974      1.9162      0.9652
H                1.8905     -0.5497      0.9020
H                1.8880     -0.5457     -0.9064
H               -0.3755     -1.0543     -0.0638
H               -0.3729      0.4328      0.9654
H                1.8909      3.2715     -1.0954
H                1.8899      1.7842     -2.1243
H               -0.3727      2.7646     -0.2563
H               -0.3736      2.7647     -2.0647
H               -1.6694      0.8405     -1.0936
H               -0.2855      0.2995     -2.1242
H                3.1845      1.3782     -0.0629
