Version2.6
2023-02-08T22:41:06Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
10-Jan-2023
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: C=C1CNCC2=C1CC(C2)C#N
RHF
6-31G(d)
(6D,7F)
C=C1CNCC2=C1CC(C2)C#N
C1[X(C10H12N2)]
66
C1
204
C=C1CNCC2=C1CC(C2)C#N
N#CC1CC2=C(C1)CNCC2=C
C=C1CNCC2=C1CC(C2)C#N
InChIKey=GFLJHGBBEVKDPE-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-7-5-12-6-9-2-8(4-11)3-10(7)9/h8,12H,1-3,5-6H2
InChI=1/C10H12N2/c1-7-5-12-6-9-2-8(4-11)3-10(7)9/h8,12H,1-3,5-6H2
C=C1CNCC2=C1CC(C2)C#N
C01[X(C10H12N2)]
66
C1
204
C=C1CNCC2=C1CC(C2)C#N
NC[C@H]1C[C@H]2[C@@H](C1)CNC[C@@H]2C
C[C@H]1CNC[C@@H]2C[C@@H](CN)C[C@H]12
InChIKey=BURYNYMKNYDXDB-QCLAVDOMSA-N
InChI=1S/C10H20N2/c1-7-5-12-6-9-2-8(4-11)3-10(7)9/h7-10,12H,2-6,11H2,1H3/t7-,8+,9-,10+/m0/s1
InChI=1/C10H20N2/c1-7-5-12-6-9-2-8(4-11)3-10(7)9/h7-10,12H,2-6,11H2,1H3/t7-,8+,9-,10+/m0/s1
4.940924514538D+02
-2.489385983188D+03
668.3731110073
-494.5302952
1-A
2091.1501
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|
0.12542 0.19332 0.21327 0.22763 0.23290 0.24574 0.25943 0.27141 0.28249 0.28941 0.30435 0.31509 0.32904 0.33143 0.33740 0.34592 0.35670 0.37731 0.40032 0.40979 0.42515 0.45958 0.47859 0.48119 0.49911 0.52278 0.53352 0.57058 0.65431 0.71261 0.73457 0.75159 0.75684 0.76676 0.78295 0.78665 0.79247 0.81064 0.81352 0.83535 0.87361 0.87508 0.88675 0.89875 0.90766 0.93167 0.93503 0.94386 0.95944 0.97351 1.00479 1.00688 1.03542 1.06199 1.08528 1.10149 1.10847 1.11503 1.12145 1.12487 1.13065 1.13778 1.14757 1.16377 1.17354 1.18339 1.19102 1.20150 1.20806 1.22204 1.24216 1.25678 1.26713 1.29445 1.33559 1.33911 1.36247 1.38906 1.41982 1.49853 1.53136 1.57153 1.61468 1.63191 1.66994 1.67922 1.74272 1.77186 1.78676 1.82114 1.86015 1.87060 1.88451 1.93093 1.95774 1.97796 2.00817 2.03107 2.03988 2.08873 2.10068 2.12838 2.15333 2.16497 2.17758 2.20705 2.24381 2.25665 2.26979 2.27879 2.31615 2.33481 2.34498 2.35261 2.37482 2.40800 2.43214 2.43542 2.46788 2.48925 2.51349 2.54575 2.56428 2.59665 2.62681 2.65579 2.66778 2.68719 2.72967 2.77341 2.80025 2.84545 2.84862 2.87788 2.90089 2.92975 2.96725 2.97168 3.04714 3.09789 3.15113 3.16566 3.18469 3.19603 3.22194 3.24553 3.50382 3.58786 3.68001 4.34798 4.49272 4.53887 4.57380 4.61573 4.62318 4.71850 4.80792 4.87419 4.91387 5.11356 5.21624
12.06434
2.0306 -0.2546 -3.9155
4.4181
|XX|YY|ZZ|XY|XZ|YZ|
-85.9904 -68.7786 -74.2186 5.1882 10.0182 0.2794
|XX|YY|ZZ|XY|XZ|YZ|
-9.6612 7.5506 2.1106 5.1882 10.0182 0.2794
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
59.6726 -0.3072 -10.7207 -4.6753 7.8044 -45.8297 16.0988 -6.3183 -5.5867 9.6559
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-2062.6889 -726.1609 -292.6823 76.1743 129.9132 13.2882 -0.4174 39.2205 -2.4637 -443.1582 -400.5977 -173.6621 10.1938 -5.5298 -3.3688
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|
44.0942 93.2890 129.8021 214.3619 235.2373 281.3171 292.2666 330.0906 413.0675 458.9246 481.1408 520.8844 563.4501 631.8306 655.8413 678.3119 784.5561 801.9427 835.6174 863.9027 895.2932 977.8597 1003.1924 1017.3424 1034.8490 1038.8930 1053.4241 1106.7354 1129.1264 1156.6642 1189.7109 1218.0531 1250.8894 1289.9056 1308.7321 1314.0531 1343.7765 1372.3981 1439.0202 1451.8313 1475.5786 1484.2948 1495.4397 1507.8906 1563.2587 1595.6767 1626.1732 1634.9169 1639.3228 1650.0972 1650.4487 1845.7916 1901.0114 2607.6907 3192.2717 3200.7197 3211.0649 3211.6627 3234.9449 3253.1109 3267.9880 3272.6374 3273.6580 3334.1469 3408.5541 3749.5164
5.7066 4.0087 2.8530 3.8896 2.8152 2.9351 3.1182 1.9192 3.8296 2.8135 3.4634 4.6885 2.8579 3.1666 4.4851 4.3784 2.0763 1.7021 2.1425 3.1014 1.9829 1.8836 2.2534 1.9383 2.1635 2.0053 1.4551 2.9872 1.8757 2.2874 2.0252 2.6204 3.2890 1.4718 1.3837 1.1581 1.1950 1.6636 1.7156 1.2292 1.3636 1.5308 1.6343 1.6979 2.7079 1.2401 1.0891 1.0912 1.0943 1.1504 1.1591 5.3668 7.8110 12.6909 1.0661 1.0696 1.0690 1.0675 1.0988 1.0966 1.0913 1.0925 1.1001 1.0621 1.1167 1.0752
0.0065 0.0206 0.0283 0.1053 0.0918 0.1369 0.1569 0.1232 0.3850 0.3491 0.4724 0.7495 0.5346 0.7448 1.1366 1.1869 0.7530 0.6449 0.8814 1.3638 0.9365 1.0612 1.3361 1.1820 1.3651 1.2752 0.9514 2.1557 1.4090 1.8031 1.6889 2.2906 3.0322 1.4428 1.3964 1.1782 1.2714 1.8461 2.0932 1.5265 1.7493 1.9870 2.1534 2.2746 3.8990 1.8604 1.6968 1.7185 1.7326 1.8456 1.8602 10.7728 16.6312 50.8459 6.4012 6.4562 6.4944 6.4878 6.7748 6.8376 6.8670 6.8940 6.9462 6.9566 7.6443 8.9060
3.6644 2.6706 1.2823 1.0946 2.8786 1.2886 5.7473 13.0771 1.5502 1.4741 1.8188 0.1715 1.2365 1.1354 0.5155 0.2201 14.7565 2.6885 0.7710 24.1640 125.9498 1.5437 17.0973 2.1629 1.1094 3.8684 42.8171 12.4299 0.9595 1.3205 7.4123 6.5615 13.9284 8.3858 0.9228 1.5471 4.6135 0.5171 9.6470 5.8036 3.3798 9.7721 6.9402 11.7062 6.3534 6.3334 2.0760 1.2514 0.4855 4.8167 7.8439 6.6969 14.6982 20.1771 36.8518 53.3196 28.1626 42.4798 44.4177 20.4314 12.6258 25.4169 32.0997 10.9847 18.6963 0.6528
2.0367 5.8410 0.9639 1.2409 4.7374 2.5840 1.7157 1.9441 3.7193 1.8686 2.9316 3.6170 5.4097 6.9726 4.9459 11.1597 2.5877 8.5433 9.1740 8.4918 1.6343 2.6486 4.0026 1.6380 3.3798 1.1292 3.8978 4.2784 2.8456 4.3765 1.7722 2.6424 4.4184 6.0788 5.3024 5.7952 8.0626 4.7895 6.2705 14.0984 11.7998 6.1127 5.8099 3.0740 17.4220 57.9308 16.7883 10.4623 36.3030 11.2235 13.5402 8.9319 339.1897 67.3953 99.7163 173.1671 100.0640 91.1475 119.7205 108.0753 89.5336 92.4788 79.3190 102.2550 82.8757 65.8777
0.7313 0.7498 0.7394 0.5855 0.7498 0.6040 0.7440 0.4454 0.7079 0.4611 0.7147 0.6194 0.6031 0.6212 0.2674 0.2107 0.7492 0.4123 0.1401 0.2417 0.7363 0.2272 0.7500 0.5681 0.2784 0.4134 0.7016 0.3349 0.7497 0.7368 0.6182 0.5274 0.2222 0.7090 0.6023 0.7458 0.4648 0.7025 0.2169 0.6401 0.2190 0.7154 0.1544 0.2380 0.5889 0.3543 0.7484 0.6375 0.5141 0.5934 0.6972 0.2919 0.2908 0.2835 0.2728 0.1565 0.2299 0.1018 0.5501 0.4370 0.1910 0.4925 0.5064 0.1171 0.7347 0.3194
0.8448 0.8570 0.8502 0.7386 0.8570 0.7531 0.8532 0.6163 0.8289 0.6311 0.8336 0.7650 0.7524 0.7664 0.4220 0.3481 0.8566 0.5839 0.2458 0.3893 0.8481 0.3703 0.8571 0.7246 0.4355 0.5849 0.8247 0.5018 0.8570 0.8485 0.7641 0.6906 0.3636 0.8297 0.7518 0.8544 0.6347 0.8253 0.3564 0.7805 0.3593 0.8341 0.2675 0.3845 0.7413 0.5232 0.8561 0.7786 0.6791 0.7448 0.8216 0.4518 0.4506 0.4418 0.4286 0.2707 0.3739 0.1849 0.7098 0.6082 0.3208 0.6600 0.6723 0.2096 0.8471 0.4842
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 7 6 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
1106.44695 2611.85915 3185.94894
0.99968 0.01317 0.02142 -0.01305 0.99990 -0.00580 -0.02150 0.00552 0.99975
1
0.07828 0.03316 0.02719
1.63111 0.69098 0.56647
63.44 134.22 186.76 308.42 338.45 404.75 420.51 474.93 594.31 660.29 692.25 749.44 810.68 909.06 943.61 975.94 1128.80 1153.82 1202.27 1242.96 1288.13 1406.92 1443.37 1463.73 1488.92 1494.74 1515.64 1592.35 1624.56 1664.18 1711.73 1752.51 1799.75 1855.89 1882.97 1890.63 1933.39 1974.57 2070.43 2088.86 2123.03 2135.57 2151.60 2169.52 2249.18 2295.82 2339.70 2352.28 2358.62 2374.12 2374.63 2655.68 2735.13 3751.89 4592.97 4605.12 4620.01 4620.87 4654.36 4680.50 4701.91 4708.60 4710.06 4797.09 4904.15 5394.72
0.219136
0.228896
0.229840
0.183281
-494.311159
-494.301400
-494.300455
-494.347014
1.561597D-04
MUNgauss
RevisionA2.1
retrievium
08-Feb-2023
GDB_13 Smiles: C=C1CNCC2=C1CC(C2)C#N
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
23.442891 36.425962 14.652508
23.215501
9
|36.858105|
|14.390350|36.858105|
|7.615786|12.541040|36.858105|
|5.225219|7.661070|13.092874|53.358707|
|4.494308|6.510735|7.869537|17.835944|36.858105|
|5.207798|7.789611|6.836216|10.512415|12.652426|36.858105|
|7.721385|12.950640|7.639891|9.187343|7.644540|14.364002|36.858105|
|6.137718|7.170542|4.832678|6.013560|5.009367|8.085776|12.611766|36.858105|
|4.190307|4.978227|3.970636|5.379087|4.939636|7.951171|7.948130|12.263201|36.858105|
|3.954239|5.064598|4.444469|6.678433|7.150160|12.645018|8.083589|7.710169|12.264622|36.858105|
|3.664320|4.208408|3.527637|4.637242|4.164054|5.840059|5.848357|7.645611|12.913013|7.651844|36.858105|
|3.223759|3.601319|3.136742|4.077961|3.564310|4.568942|4.575481|5.475428|7.296606|5.482379|16.776004|53.358707|
|17.706539|9.088213|6.959697|6.485793|3.915344|4.199035|5.524560|4.558936|3.396806|3.285021|3.068346|3.781705|0.500000|
|17.714360|9.048992|5.453613|5.726263|3.876426|4.708265|6.960499|6.785508|4.378249|3.853986|3.811471|4.539046|0.289627|0.500000|
|7.191942|8.844160|17.590536|12.493532|5.694341|4.998054|5.593494|3.987614|3.297347|3.585215|2.970978|3.664462|0.215654|0.142294|0.500000|
|6.227363|8.921403|17.528804|12.572233|7.134002|6.189780|6.568650|4.460090|3.831472|4.248137|3.605824|4.489256|0.162421|0.132326|0.303039|0.500000|
|5.133764|7.008903|9.442302|25.881742|9.443564|6.784781|6.218487|4.281850|3.776506|4.614903|3.162563|3.757877|0.131000|0.116825|0.225688|0.182834|0.500000|
|3.742240|4.986189|5.715430|12.510942|17.541743|8.893664|5.822297|4.307564|4.462412|6.658750|3.720621|4.362012|0.092556|0.092560|0.128163|0.143480|0.234568|0.500000|
|3.949473|5.423694|6.758353|12.461663|17.503643|8.931183|6.115204|4.370301|4.497590|6.238949|4.119605|4.989359|0.098044|0.095691|0.141158|0.200862|0.183165|0.304415|0.500000|
|6.226616|6.485131|4.430754|5.232928|4.176032|5.980354|8.748087|17.585409|8.651817|5.687386|7.477629|7.914154|0.129850|0.206014|0.104518|0.118338|0.101969|0.099656|0.106363|0.500000|
|5.831183|6.199792|4.292633|5.475758|4.364964|6.366671|8.835412|17.528159|8.721234|6.256144|5.705312|5.943444|0.122837|0.190327|0.102981|0.106504|0.113960|0.109521|0.103896|0.302934|0.500000|
|3.608399|4.068096|3.325082|4.572777|4.055035|5.822483|5.814471|8.665014|17.597279|8.667884|9.218597|8.362307|0.083275|0.107197|0.079355|0.088280|0.091831|0.107149|0.102651|0.188893|0.223621|0.500000|
|3.553790|4.383119|3.930040|6.146770|6.245716|8.860886|6.343074|6.245036|8.711971|17.511573|5.708179|5.950512|0.083598|0.097038|0.091242|0.101464|0.124894|0.183913|0.146085|0.130650|0.161288|0.223547|0.500000|
|3.383969|4.230066|3.962285|5.991667|6.471525|8.752003|5.987677|5.683987|8.637118|17.562702|7.476011|7.925039|0.080514|0.090971|0.090095|0.110267|0.111893|0.172126|0.178443|0.130082|0.130728|0.188615|0.303232|0.500000|
494.092372
-2489.385733
901.904741
-69.514836
-1162.903456
668.373159
-494.530297
2.000886
4038000000000003
41A33F0E7DFFFFFC
413CA54B26B29AC4
40DCC80000000000
C000000000000000
4160E1BA60000001