Version2.5
2022-11-22T21:59:34Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
07-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1C=C(NC=N)C(C#C)C1=C
RHF
6-31G(d)
(6D,7F)
CC1C=C(NC=N)C(C#C)C1=C
C1[X(C10H12N2)]
66
C1
204
CC1C=C(NC=N)C(C#C)C1=C
CC1C=C(C(C1=C)C#C)NC=N
CC1C=C(NC=N)C(C#C)C1=C
InChIKey=BZMOWDNSFPNNKH-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-4-9-8(3)7(2)5-10(9)12-6-11/h1,5-7,9H,3H2,2H3,(H2,11,12)
InChI=1/C10H12N2/c1-4-9-8(3)7(2)5-10(9)12-6-11/h1,5-7,9H,3H2,2H3,(H2,11,12)/f/h11-12H
CC1C=C(NC=N)C(C#C)C1=C
C01[X(C10H12N2)]
66
C1
204
CC1C=C(NC=N)C(C#C)C1=C
NCN[C@H]1C[C@@H]([C@@H]([C@@H]1CC)C)C
CC[C@H]1[C@@H](C)[C@@H](C)C[C@@H]1NCN
InChIKey=HDWLGADPGWJKQH-XKNYDFJKSA-N
InChI=1S/C10H22N2/c1-4-9-8(3)7(2)5-10(9)12-6-11/h7-10,12H,4-6,11H2,1-3H3/t7-,8-,9-,10-/m0/s1
InChI=1/C10H22N2/c1-4-9-8(3)7(2)5-10(9)12-6-11/h7-10,12H,4-6,11H2,1-3H3/t7-,8-,9-,10-/m0/s1
4.939754070371D+02
-2.457685470922D+03
652.2223351812
-494.4503255
1-A
2230.1708
43
161
204
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.17182 0.17518 0.20559 0.22394 0.23029 0.24858 0.26231 0.26875 0.27563 0.30064 0.30172 0.31682 0.31902 0.32744 0.33923 0.36421 0.36781 0.40631 0.42742 0.45020 0.46547 0.46816 0.49823 0.52552 0.54076 0.54988 0.57352 0.62355 0.66049 0.71039 0.71780 0.74452 0.75115 0.75343 0.76804 0.78600 0.78896 0.81338 0.82853 0.85064 0.85836 0.87833 0.88030 0.89238 0.91057 0.93326 0.94686 0.95922 0.98034 0.99035 1.03527 1.04471 1.05144 1.05693 1.07229 1.08374 1.09595 1.10502 1.11349 1.12975 1.14499 1.15019 1.15891 1.17361 1.18626 1.19487 1.20763 1.22342 1.22909 1.24491 1.24664 1.28394 1.29060 1.31887 1.36312 1.38684 1.43307 1.47053 1.49064 1.49849 1.51821 1.54427 1.57975 1.63258 1.65278 1.67093 1.69510 1.73015 1.75884 1.78263 1.80622 1.82501 1.85116 1.87538 1.90070 1.93754 1.94601 2.00669 2.01186 2.05146 2.08053 2.09912 2.10718 2.12570 2.16057 2.18846 2.20166 2.23332 2.26028 2.28085 2.29647 2.31293 2.31709 2.33820 2.39195 2.45572 2.46665 2.48182 2.50404 2.54557 2.55141 2.57793 2.58455 2.62117 2.66564 2.68873 2.70698 2.72492 2.74591 2.76071 2.79502 2.84450 2.89333 2.92311 2.94042 2.95508 2.99484 3.03411 3.05742 3.08713 3.11335 3.14548 3.17331 3.22438 3.33249 3.41856 3.45110 3.69252 3.80720 4.23514 4.49703 4.57815 4.62075 4.63873 4.65828 4.68398 4.76252 4.82290 4.97800 5.09315 5.24583
12.93836
-1.0577 2.4512 -0.0439
2.6700
|XX|YY|ZZ|XY|XZ|YZ|
-62.0192 -66.0594 -73.7156 -6.6751 -1.2226 1.8332
|XX|YY|ZZ|XY|XZ|YZ|
5.2456 1.2054 -6.4509 -6.6751 -1.2226 1.8332
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-62.0744 26.6458 0.2888 0.4238 10.2015 5.1079 -2.8497 5.3217 13.8956 3.0485
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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0
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
31.7975 63.8459 129.2281 135.6587 175.7023 204.8969 259.4315 264.5839 300.6164 314.5740 417.0102 453.5226 476.3994 495.5927 518.8115 571.0826 605.8582 657.2057 710.5329 790.3499 792.5409 823.6330 871.4767 886.8745 898.4301 970.1730 994.9533 1000.7322 1047.1729 1061.3650 1108.2781 1115.2794 1174.1195 1186.7683 1201.4233 1221.2320 1315.9517 1338.8836 1383.2186 1408.5778 1424.7275 1439.5140 1469.9596 1496.6396 1557.3219 1573.6803 1585.9916 1639.2623 1644.7404 1734.7724 1872.8327 1895.0976 1915.5373 2405.5536 3160.2247 3175.1221 3205.1455 3264.8712 3277.2898 3279.0920 3335.6255 3410.1406 3454.7657 3662.5100 3770.1992 3872.8735
3.6254 4.7473 3.8538 3.1840 3.7691 3.2185 1.2350 2.9222 2.1546 4.6918 3.6473 3.2495 1.7243 3.2490 2.3863 3.5517 3.4063 3.5335 3.4426 1.3029 1.3010 1.3256 2.4560 1.3764 3.4621 2.3849 1.5686 2.7897 1.9545 1.3672 1.8552 2.7048 2.0141 1.3115 2.2120 1.4391 1.6877 1.5221 1.4373 1.7762 1.4234 2.0564 1.5998 1.7896 1.2511 1.4455 1.1868 1.0536 1.0472 1.8092 5.3267 5.2846 6.6553 5.7190 1.0834 1.0823 1.0358 1.1027 1.0912 1.1042 1.0627 1.1170 1.0957 1.1695 1.0769 1.0785
0.0022 0.0114 0.0379 0.0345 0.0686 0.0796 0.0490 0.1205 0.1147 0.2735 0.3737 0.3938 0.2306 0.4702 0.3784 0.6825 0.7367 0.8992 1.0240 0.4795 0.4815 0.5298 1.0990 0.6378 1.6465 1.3226 0.9149 1.6461 1.2628 0.9074 1.3425 1.9822 1.6359 1.0883 1.8812 1.2646 1.7219 1.6076 1.6202 2.0764 1.7023 2.5107 2.0367 2.3618 1.7878 2.1091 1.7589 1.6682 1.6690 3.2078 11.0080 11.1821 14.3880 19.4985 6.3748 6.4284 6.2692 6.9253 6.9051 6.9950 6.9667 7.6532 7.7053 9.2430 9.0186 9.5312
0.0083 0.3439 2.2105 14.9834 9.6476 10.5763 0.7530 55.1333 0.7274 2.3969 1.9120 6.3394 73.2244 3.3840 17.2462 14.5648 4.1429 8.6346 0.3323 5.0500 52.3838 42.5090 5.1645 49.7581 6.4388 6.1611 46.6729 8.4125 7.4258 36.4470 4.7120 1.6902 68.3770 12.6277 26.0733 7.0618 60.2853 4.7546 3.4521 66.6644 49.6392 5.5567 10.2597 2.7766 1.2951 57.4760 6.8351 0.9512 4.6011 428.9385 132.3838 82.4070 118.1131 1.0425 44.3573 20.0839 40.9946 40.0048 74.9492 39.9782 10.8863 14.0828 0.6746 61.8339 1.6213 63.8934
1.6845 2.0033 4.0817 4.8801 4.5621 5.0724 1.0312 2.8021 1.4057 4.0800 2.6421 3.4128 4.4776 3.2721 4.4541 10.6155 6.9547 2.6454 4.7161 1.8102 3.1508 3.1777 9.6338 5.0776 3.6189 11.5437 5.5192 2.7393 6.7239 2.6140 4.4273 3.3075 1.3206 2.2070 7.1616 4.2932 7.3821 2.4673 4.4704 7.1137 12.5372 2.5953 7.3530 5.3323 3.7668 9.7293 26.3141 10.6736 20.4309 11.4498 38.5260 65.3164 40.7744 129.2481 129.8584 111.8365 112.6436 77.9505 108.6429 50.8505 91.8888 63.3635 57.1728 34.3117 209.6732 61.4516
0.7486 0.7257 0.7170 0.7491 0.7499 0.5692 0.6174 0.7220 0.6261 0.5688 0.7146 0.7066 0.7234 0.7460 0.5558 0.4552 0.2574 0.6817 0.4173 0.7218 0.7003 0.7408 0.2237 0.6869 0.3866 0.5489 0.3888 0.5380 0.7437 0.7231 0.5972 0.4790 0.6360 0.7253 0.1864 0.3810 0.2621 0.7498 0.7499 0.6376 0.4304 0.7495 0.7432 0.5509 0.4822 0.0990 0.5439 0.7500 0.6226 0.6243 0.2147 0.3159 0.1390 0.2615 0.3135 0.2103 0.0150 0.7486 0.3554 0.6823 0.1115 0.7441 0.3038 0.2586 0.3222 0.1455
0.8562 0.8410 0.8352 0.8566 0.8571 0.7255 0.7634 0.8386 0.7701 0.7251 0.8335 0.8281 0.8395 0.8545 0.7145 0.6256 0.4094 0.8108 0.5889 0.8384 0.8238 0.8511 0.3657 0.8144 0.5576 0.7088 0.5599 0.6996 0.8530 0.8393 0.7478 0.6478 0.7775 0.8408 0.3142 0.5517 0.4154 0.8570 0.8571 0.7787 0.6018 0.8568 0.8527 0.7104 0.6506 0.1801 0.7046 0.8571 0.7674 0.7687 0.3535 0.4802 0.2440 0.4146 0.4774 0.3476 0.0295 0.8563 0.5245 0.8112 0.2006 0.8533 0.4660 0.4109 0.4874 0.2540
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
6 6 6 6 7 6 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1462.25512 2331.48581 3518.25448
0.99919 -0.04020 0.00198 0.04021 0.99914 -0.00988 -0.00158 0.00996 0.99995
1
0.05923 0.03715 0.02462
1.23422 0.77407 0.51296
45.75 91.86 185.93 195.18 252.80 294.80 373.26 380.68 432.52 452.60 599.98 652.52 685.43 713.05 746.45 821.66 871.69 945.57 1022.30 1137.14 1140.29 1185.02 1253.86 1276.01 1292.64 1395.86 1431.52 1439.83 1506.65 1527.07 1594.56 1604.64 1689.30 1707.49 1728.58 1757.08 1893.36 1926.35 1990.14 2026.63 2049.87 2071.14 2114.94 2153.33 2240.64 2264.17 2281.89 2358.53 2366.41 2495.95 2694.59 2726.62 2756.03 3461.06 4546.86 4568.29 4611.49 4697.42 4715.29 4717.88 4799.22 4906.43 4970.64 5269.54 5424.48 5572.20
0.213923
0.225281
0.226225
0.176034
-494.236403
-494.225044
-494.224100
-494.274291
1.683414D-04
MUNgauss
RevisionA2.1
retrievium
22-Nov-2022
GDB_13 Smiles: CC1C=C(NC=N)C(C#C)C1=C
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
35.770216 28.414229 11.969943
22.999400
5
|36.858105|
|12.434450|36.858105|
|7.506268|12.609681|36.858105|
|5.388467|8.076517|14.411043|36.858105|
|3.951887|5.110415|7.719192|13.695063|53.358707|
|3.468344|4.181654|6.168535|7.705565|18.977917|36.858105|
|3.621482|4.236661|6.361138|6.501524|11.157695|15.168076|53.358707|
|5.124645|7.687675|8.066508|12.536789|10.457885|5.020756|5.863017|36.858105|
|4.115145|5.157977|5.393949|7.587359|8.796941|4.458292|5.046874|12.920722|36.858105|
|3.423930|3.975223|4.135969|5.357370|6.990086|3.861264|4.388969|7.157042|16.038893|36.858105|
|7.422169|12.484294|8.028164|8.022503|7.038182|3.931355|5.018952|12.468400|7.517702|5.286475|36.858105|
|6.127599|7.485943|5.215579|5.228636|5.306343|3.120479|4.007279|7.561045|6.264330|4.930265|14.474243|36.858105|
|17.543717|8.806230|6.821185|4.756398|5.006520|3.397733|5.053393|4.234191|3.463722|2.949880|5.448999|4.593207|0.500000|
|17.557070|8.748600|5.473725|4.342516|4.524931|2.931450|4.111215|4.465071|3.716082|3.164114|6.641988|6.440039|0.302009|0.500000|
|17.564502|8.787200|6.806993|5.334416|5.478375|3.525248|4.921969|5.061989|4.366404|3.709753|6.783681|5.784537|0.300858|0.300832|0.500000|
|8.922768|17.472188|8.899080|6.308848|5.996691|3.753676|5.280729|6.161266|4.276837|3.399988|8.869048|6.429222|0.213671|0.214144|0.173779|0.500000|
|6.542045|8.369348|17.809778|8.985688|9.116648|6.406080|10.576154|5.618595|4.240799|3.458175|5.596430|4.097801|0.191804|0.134719|0.166220|0.196857|0.500000|
|3.494760|4.374327|5.809149|9.393893|26.069414|9.468470|8.185636|7.426877|7.452769|6.181240|4.789302|3.785205|0.089130|0.084094|0.100481|0.105903|0.139775|0.500000|
|2.925380|3.422301|4.610909|5.679464|12.780084|17.585672|12.548869|4.242483|4.043739|3.684567|3.341999|2.757749|0.079444|0.070464|0.083322|0.086746|0.130534|0.240117|0.500000|
|3.092583|3.483040|4.789770|4.868405|8.225613|10.240088|25.877079|3.535078|3.161786|2.836723|3.088735|2.550081|0.089082|0.073312|0.086180|0.090480|0.158450|0.136705|0.239334|0.500000|
|4.249324|6.195213|6.390494|8.932226|9.192073|4.648165|5.426907|17.484781|9.187101|6.051567|8.842369|6.446094|0.101542|0.107087|0.112541|0.157599|0.134182|0.187443|0.112409|0.092744|0.500000|
|2.950398|3.287615|3.402152|4.189333|5.697452|3.356217|3.868632|5.122734|8.486900|18.022653|4.142686|4.036855|0.071907|0.076906|0.089261|0.079781|0.081887|0.138553|0.091745|0.071094|0.127206|0.500000|
|4.611736|5.412056|4.294930|4.599145|4.971538|2.920573|3.673329|6.877427|6.702916|5.561049|9.104342|17.711306|0.102028|0.132996|0.126808|0.134133|0.096588|0.102597|0.073428|0.065759|0.173104|0.127297|0.500000|
|6.459379|6.765967|4.562784|4.286524|4.499906|2.760234|3.640014|5.437502|4.670592|3.923635|9.105962|17.715068|0.134119|0.217688|0.162597|0.172669|0.104549|0.088174|0.068104|0.065179|0.134598|0.093557|0.289231|0.500000|
493.975465
-2457.685833
886.503591
-69.465932
-1146.672708
652.222382
-494.450326
2.000961
400FFFFFFFFFFFF8
41A59B9F4FFFFFFC
4140148E5F417D03
40702FFFFFFFFFFF
3FF0000000000000
40BA480000000000