Version2.5
2022-12-20T22:17:01Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
26-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1=NN2C=C(C)CC(=C)C2=C1
RHF
6-31G(d)
(6D,7F)
CC1=NN2C=C(C)CC(=C)C2=C1
C1[X(C10H12N2)]
66
C1
204
CC1=NN2C=C(C)CC(=C)C2=C1
CC1=Cn2c(C(=C)C1)cc(n2)C
CC1=Cn2nc(C)cc2C(=C)C1
InChIKey=YMIVZYXHVUSLQB-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-7-4-8(2)10-5-9(3)11-12(10)6-7/h5-6H,2,4H2,1,3H3
InChI=1/C10H12N2/c1-7-4-8(2)10-5-9(3)11-12(10)6-7/h5-6H,2,4H2,1,3H3
CC1=NN2C=C(C)CC(=C)C2=C1
C01[X(C10H12N2)]
66
C1
204
CC1=NN2C=C(C)CC(=C)C2=C1
C[C@@H]1C[C@@H](C)[C@@H]2[N@](C1)N[C@H](C2)C
C[C@@H]1C[C@@H](C)[C@H]2C[C@H](C)NN2C1
InChIKey=YAWLIWXTKFSQHU-DOLQZWNJSA-N
InChI=1S/C10H20N2/c1-7-4-8(2)10-5-9(3)11-12(10)6-7/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChI=1/C10H20N2/c1-7-4-8(2)10-5-9(3)11-12(10)6-7/h7-11H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1
4.940624306886D+02
-2.499957578228D+03
673.6676993974
-494.521878
1-A
2214.4940
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|
-15.63678 -15.57172 -11.26948 -11.26592 -11.25542 -11.24935 -11.24298 -11.24004 -11.22850 -11.22844 -11.21500 -11.20883 -1.39016 -1.17121 -1.10427 -1.07835 -1.02553 -0.98009 -0.94746 -0.91387 -0.83598 -0.79179 -0.75973 -0.69879 -0.68067 -0.64433 -0.62955 -0.61575 -0.60020 -0.58902 -0.57962 -0.56114 -0.55496 -0.55335 -0.54040 -0.53148 -0.50157 -0.48525 -0.44380 -0.41515 -0.39960 -0.31197 -0.29450
|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|
0.11367 0.19038 0.23429 0.23513 0.26037 0.26590 0.27115 0.27860 0.28946 0.31564 0.31927 0.32550 0.33022 0.33098 0.35063 0.36226 0.39287 0.40663 0.42080 0.44188 0.45089 0.48673 0.50012 0.51860 0.54548 0.56744 0.60227 0.66758 0.67893 0.71654 0.73114 0.74499 0.74764 0.76028 0.76755 0.77823 0.79294 0.80611 0.82847 0.83825 0.84911 0.87585 0.87796 0.89341 0.90477 0.91680 0.92928 0.94261 0.96166 0.98703 1.00064 1.02964 1.05227 1.06629 1.06729 1.08192 1.09623 1.10115 1.13298 1.14706 1.15418 1.16582 1.17424 1.17607 1.19186 1.20197 1.20513 1.21418 1.22564 1.24187 1.24461 1.24905 1.26747 1.30166 1.36515 1.38463 1.41087 1.42099 1.45122 1.48864 1.50401 1.54129 1.59174 1.61346 1.62899 1.63879 1.66839 1.69548 1.72402 1.75170 1.77417 1.83081 1.83855 1.85941 1.89144 1.94896 2.00827 2.04085 2.07518 2.10136 2.11524 2.12868 2.17554 2.19998 2.21070 2.22898 2.24428 2.25084 2.27545 2.33057 2.34581 2.37481 2.40142 2.44368 2.46900 2.47553 2.48705 2.49649 2.51706 2.52625 2.58570 2.60392 2.61432 2.61995 2.65966 2.68281 2.69332 2.73517 2.74102 2.76900 2.79027 2.82372 2.85770 2.87978 2.93774 2.97921 2.99803 3.01331 3.07549 3.09186 3.12239 3.20168 3.23610 3.27227 3.35023 3.38159 3.56479 3.66042 3.77726 4.32170 4.53663 4.56155 4.57295 4.59445 4.64955 4.69703 4.73795 4.79606 4.87050 4.98178 5.13171
11.10678
1.7521 1.4782 0.1817
2.2996
|XX|YY|ZZ|XY|XZ|YZ|
-63.2190 -69.2912 -74.6946 -3.2577 0.1975 0.0870
|XX|YY|ZZ|XY|XZ|YZ|
5.8492 -0.2229 -5.6263 -3.2577 0.1975 0.0870
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-6.5250 6.0509 2.1457 7.7356 4.3610 1.5003 0.4864 -2.6660 -4.6290 0.8378
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1987.4249 -809.1939 -109.7522 7.5186 -1.9783 -15.8015 -5.5393 4.3755 1.7719 -475.3765 -365.4422 -173.9148 -0.7729 -4.1654 -0.3327
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|
78.5687 95.1229 104.4027 157.2875 205.7600 222.6437 295.0381 313.3351 352.8965 388.0182 448.7501 487.0840 514.0525 559.3306 603.6486 625.4901 714.5447 740.2909 775.2912 838.5195 900.9056 918.1324 963.2836 975.1472 1015.9537 1042.5168 1065.6979 1070.6627 1121.0835 1138.2799 1171.7768 1175.3927 1215.6031 1245.0400 1305.0008 1340.8641 1391.1586 1400.7140 1487.9065 1509.0637 1521.5993 1563.3562 1574.0187 1583.3563 1612.7000 1615.9689 1623.9465 1628.2461 1631.8831 1640.0361 1667.6082 1768.2902 1872.9270 1923.8593 3164.9124 3189.7473 3208.1672 3234.7045 3243.1797 3258.4113 3279.7148 3303.2199 3340.1613 3419.2879 3432.5658 3441.7402
2.4447 1.7336 1.5162 3.5297 1.1272 2.7089 2.9066 2.6530 3.7389 2.8224 2.9190 4.3510 3.3513 3.7161 4.3940 3.5640 1.7126 4.8367 4.7492 1.5002 1.5717 3.7914 1.7501 2.2017 2.0586 1.4623 1.7942 1.7871 1.7657 1.9743 1.5075 1.5028 2.7692 1.9278 1.7819 1.2953 2.6673 2.0381 2.2409 2.2712 2.9283 1.6266 1.3653 1.3638 3.2724 1.1108 1.0499 1.0446 1.3558 1.0638 3.5019 6.6158 5.2899 6.9027 1.0722 1.0392 1.0387 1.1014 1.0910 1.1024 1.1007 1.1013 1.0626 1.1172 1.0956 1.0986
0.0089 0.0092 0.0097 0.0514 0.0281 0.0791 0.1491 0.1535 0.2743 0.2504 0.3463 0.6082 0.5218 0.6850 0.9434 0.8215 0.5152 1.5617 1.6819 0.6215 0.7516 1.8831 0.9568 1.2335 1.2519 0.9364 1.2005 1.2070 1.3075 1.5072 1.2195 1.2232 2.4109 1.7607 1.7879 1.3721 3.0414 2.3560 2.9230 3.0473 3.9945 2.3423 1.9930 2.0144 5.0145 1.7090 1.6313 1.6317 2.1273 1.6859 5.7378 12.1881 10.9330 15.0528 6.3277 6.2297 6.2990 6.7902 6.7611 6.8962 6.9757 7.0798 6.9850 7.6957 7.6060 7.6676
0.3759 1.5407 1.0225 0.0339 0.2374 0.7694 0.8011 0.6287 0.3252 7.9361 8.9164 2.0830 5.2326 0.6012 0.8735 2.9629 0.0524 0.1362 10.0675 2.9285 34.4110 30.9461 0.4346 8.8514 0.4456 43.7340 15.2618 15.9102 8.6545 6.9824 1.5223 0.8409 8.5421 3.5462 0.4040 2.1402 35.4061 17.0369 69.1934 8.3161 174.3846 50.2673 3.4628 0.5375 44.9763 2.6893 7.0770 4.9847 12.5598 9.7079 17.6838 36.9981 10.9614 48.1599 26.4959 62.8284 41.3723 30.7970 31.8928 31.0980 29.5955 16.0381 8.4353 10.4287 9.6187 2.5884
2.1317 0.7999 0.8357 1.4163 0.4685 0.7455 2.7716 2.3885 1.5453 1.9562 5.4068 7.2469 4.1336 9.1626 13.2191 3.9213 1.2706 0.6547 2.6862 4.7424 4.1479 3.2039 11.8939 3.8139 1.0884 2.3110 5.5395 2.2873 3.6356 22.5272 1.4667 1.3918 1.6117 2.1507 12.1874 5.8752 7.0469 3.8320 22.6194 7.1379 64.2130 64.1201 5.7898 17.1892 10.6852 11.4413 17.0239 21.2971 50.2984 40.1790 121.0108 17.5548 161.2160 165.9360 99.2345 216.0346 178.9589 96.6338 98.3807 99.9382 78.0604 78.3140 83.9138 61.7583 74.2767 61.1713
0.7165 0.7377 0.7500 0.7446 0.6460 0.5297 0.7005 0.7058 0.7453 0.4322 0.7231 0.3364 0.7218 0.6046 0.1069 0.4958 0.6757 0.7262 0.5893 0.6775 0.6913 0.7110 0.7004 0.4425 0.5040 0.2929 0.5932 0.7493 0.5444 0.2546 0.7471 0.5476 0.3928 0.6947 0.2199 0.6158 0.7326 0.7229 0.1545 0.7072 0.7475 0.7245 0.3293 0.7121 0.7420 0.6848 0.7455 0.7496 0.3519 0.5693 0.1818 0.3648 0.1910 0.3470 0.2497 0.0536 0.0391 0.7473 0.4553 0.7500 0.7348 0.7149 0.1193 0.7305 0.2989 0.3322
0.8348 0.8490 0.8571 0.8536 0.7849 0.6926 0.8239 0.8276 0.8541 0.6035 0.8393 0.5035 0.8384 0.7535 0.1931 0.6629 0.8065 0.8414 0.7416 0.8077 0.8175 0.8311 0.8238 0.6135 0.6702 0.4531 0.7447 0.8567 0.7050 0.4058 0.8552 0.7077 0.5640 0.8198 0.3606 0.7622 0.8457 0.8392 0.2676 0.8285 0.8555 0.8402 0.4954 0.8318 0.8519 0.8129 0.8542 0.8569 0.5206 0.7256 0.3076 0.5346 0.3207 0.5152 0.3996 0.1018 0.0753 0.8554 0.6257 0.8571 0.8471 0.8337 0.2131 0.8443 0.4603 0.4987
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 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 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
1019.62452 2534.90140 3488.62736
0.99994 -0.01126 0.00032 0.01126 0.99994 -0.00073 -0.00031 0.00074 1.00000
1
0.08495 0.03417 0.02483
1.77001 0.71196 0.51732
113.04 136.86 150.21 226.30 296.04 320.33 424.49 450.82 507.74 558.27 645.65 700.81 739.61 804.75 868.52 899.94 1028.07 1065.11 1115.47 1206.44 1296.20 1320.99 1385.95 1403.02 1461.73 1499.95 1533.30 1540.44 1612.99 1637.73 1685.93 1691.13 1748.98 1791.33 1877.61 1929.20 2001.57 2015.31 2140.77 2171.21 2189.24 2249.32 2264.66 2278.10 2320.32 2325.02 2336.50 2342.68 2347.92 2359.65 2399.32 2544.18 2694.72 2768.00 4553.60 4589.33 4615.84 4654.02 4666.21 4688.13 4718.78 4752.60 4805.75 4919.59 4938.70 4951.90
0.215783
0.226145
0.227089
0.179664
-494.306095
-494.295733
-494.294789
-494.342214
1.590642D-04
MUNgauss
RevisionA2.1
retrievium
20-Dec-2022
GDB_13 Smiles: CC1=NN2C=C(C)CC(=C)C2=C1
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
38.808368 25.022720 9.069400
20.651241
9
|36.858105|
|12.714493|36.858105|
|7.802264|14.607730|53.358707|
|5.381681|9.066623|19.419093|53.358707|
|3.963825|5.530116|10.818319|18.535205|36.858105|
|3.227973|4.276616|7.225199|10.963175|14.436069|36.858105|
|2.621619|3.248392|5.325005|6.884899|7.695351|12.676568|36.858105|
|3.126582|4.141296|6.285586|9.257955|7.746196|12.560897|7.383651|36.858105|
|3.722431|5.191584|7.208559|10.710697|6.686810|7.473924|4.883346|12.533124|36.858105|
|3.298653|4.278098|5.566840|7.175350|4.612349|5.095650|3.848922|7.631513|14.408655|36.858105|
|5.191496|8.649488|11.618250|19.255265|7.825861|6.678622|4.375735|7.541176|12.940580|7.787919|36.858105|
|7.273841|13.448053|11.556431|11.948273|5.400191|4.567831|3.360512|4.938488|7.249960|6.007345|13.936332|36.858105|
|17.547737|8.889364|8.218186|6.260734|3.508354|2.956494|2.432106|2.934154|3.466335|3.129908|4.636303|6.437390|0.500000|
|17.548364|8.888892|8.204930|6.250971|3.505235|2.934311|2.418739|2.883656|3.473653|3.198426|4.635768|6.443533|0.302005|0.500000|
|17.603554|8.959196|10.201076|6.761331|3.877576|3.108233|2.582956|2.902690|3.301046|2.899718|4.431058|5.487470|0.300724|0.300693|0.500000|
|3.828985|5.003834|10.130594|12.470043|17.783178|8.965317|6.877107|5.486421|4.878844|3.684619|5.718096|4.503160|0.093313|0.093951|0.109172|0.500000|
|2.596319|3.154789|5.296122|6.469197|7.295020|8.853695|17.577835|5.433592|4.064768|3.274965|3.915320|3.128082|0.066479|0.066340|0.072620|0.215258|0.500000|
|2.411248|2.943150|4.675590|5.906440|5.980104|8.868335|17.522976|6.602356|4.585060|3.811052|3.953542|3.093171|0.062061|0.062987|0.065654|0.150537|0.301110|0.500000|
|2.426110|2.953783|4.710978|5.903017|5.961583|8.877072|17.515149|6.733654|4.429213|3.593546|3.909687|3.080227|0.063736|0.061981|0.066260|0.149675|0.301218|0.302522|0.500000|
|2.966391|3.826153|5.698245|7.816044|6.307767|8.969594|6.449391|17.464711|8.899441|6.360606|6.293577|4.497885|0.079427|0.075117|0.076715|0.133116|0.136642|0.153918|0.188595|0.500000|
|2.711579|3.444659|5.108724|6.930231|5.815121|8.882679|7.038046|17.560910|8.906853|7.215304|5.611150|4.052640|0.070902|0.071030|0.070389|0.125667|0.141331|0.203027|0.181376|0.304239|0.500000|
|2.781924|3.457986|4.605637|5.769318|3.989279|4.630844|3.745348|6.982007|9.095212|17.713614|5.548422|4.491820|0.074062|0.075317|0.069361|0.090918|0.087395|0.106417|0.099327|0.168802|0.214768|0.500000|
|3.491369|4.420404|5.407781|6.508489|3.994627|4.137513|3.228676|5.464738|9.078951|17.727885|7.075376|6.479538|0.092491|0.096536|0.083279|0.091863|0.078961|0.088688|0.083894|0.133781|0.142994|0.289094|0.500000|
|6.330413|8.516562|7.924873|8.069279|4.201798|3.780960|2.913241|4.257765|6.190406|5.958368|8.691091|17.803665|0.170026|0.170076|0.131636|0.100128|0.075104|0.075987|0.075569|0.110628|0.101449|0.125018|0.199940|0.500000|
494.062703
-2499.958827
907.219528
-69.513032
-1168.189629
673.667748
-494.521881
2.000929
4037FFFFFFFFFFF2
41A09DD5AFFFFFFC
4138BB49F417D059
40AD23FFFFFFFFFD
BFF0000000000000
4163F30260000000