Version2.5
2022-12-20T19:25:09Z
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: CC1CN2N=C(C)C=C2C2CC12
RHF
6-31G(d)
(6D,7F)
CC1CN2N=C(C)C=C2C2CC12
C1[X(C10H14N2)]
72
C1
208
CC1CN2N=C(C)C=C2C2CC12
CC1Cn2nc(cc2C2C1C2)C
CC1Cn2nc(C)cc2C3CC13
InChIKey=WHMSQQYXXXCSAJ-UHFFFAOYSA-N
InChI=1S/C10H14N2/c1-6-5-12-10(3-7(2)11-12)9-4-8(6)9/h3,6,8-9H,4-5H2,1-2H3
InChI=1/C10H14N2/c1-6-5-12-10(3-7(2)11-12)9-4-8(6)9/h3,6,8-9H,4-5H2,1-2H3
CC1CN2N=C(C)C=C2C2CC12
C01[X(C10H14N2)]
72
C1
208
CC1CN2N=C(C)C=C2C2CC12
C[C@@H]1C[C@H]2[N@](N1)C[C@@H]([C@H]1[C@@H]2C1)C
C[C@@H]1C[C@@H]2[C@H]3C[C@H]3[C@@H](C)CN2N1
InChIKey=SDKRWUZTFOGTEJ-CVPUBMOQSA-N
InChI=1S/C10H18N2/c1-6-5-12-10(3-7(2)11-12)9-4-8(6)9/h6-11H,3-5H2,1-2H3/t6-,7+,8-,9-,10+/m0/s1
InChI=1/C10H18N2/c1-6-5-12-10(3-7(2)11-12)9-4-8(6)9/h6-11H,3-5H2,1-2H3/t6-,7+,8-,9-,10+/m0/s1
4.952972205209D+02
-2.583556457176D+03
714.1213828073
-495.6917732
1-A
2195.6616
44
164
208
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
-15.61904 -15.55773 -11.26513 -11.26255 -11.24463 -11.24335 -11.24177 -11.23862 -11.23489 -11.22218 -11.20830 -11.19388 -1.37373 -1.18732 -1.12051 -1.07174 -1.03170 -0.97398 -0.90681 -0.87456 -0.85747 -0.79766 -0.75907 -0.70928 -0.69609 -0.67323 -0.64576 -0.61567 -0.60822 -0.57814 -0.56724 -0.55981 -0.55013 -0.54183 -0.53003 -0.51921 -0.50735 -0.49213 -0.47605 -0.44309 -0.43304 -0.41282 -0.32545 -0.31233
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.18668 0.21706 0.23871 0.24644 0.26476 0.27523 0.28292 0.30328 0.30859 0.31570 0.31955 0.32441 0.32565 0.33956 0.34480 0.35887 0.36655 0.38657 0.40016 0.40208 0.42698 0.43806 0.44245 0.46504 0.48335 0.50734 0.54607 0.57547 0.61423 0.65889 0.70528 0.71992 0.73169 0.74851 0.76855 0.77013 0.78690 0.79921 0.81552 0.82672 0.83430 0.85427 0.87389 0.89435 0.90169 0.90852 0.91845 0.93208 0.94688 0.95627 0.98272 1.00111 1.00984 1.03365 1.05503 1.08071 1.08714 1.10256 1.11580 1.12443 1.14727 1.15039 1.15529 1.16416 1.17125 1.18513 1.18929 1.19372 1.20833 1.21224 1.21284 1.24450 1.24904 1.25545 1.26542 1.29233 1.30997 1.31734 1.38570 1.41831 1.44329 1.49179 1.52119 1.53158 1.57393 1.63574 1.64366 1.69139 1.69778 1.70071 1.75348 1.78021 1.82881 1.84554 1.86715 1.89491 1.91954 2.01031 2.03361 2.05928 2.11215 2.13170 2.13731 2.15244 2.15973 2.19590 2.20960 2.22246 2.25134 2.27296 2.28224 2.29493 2.33570 2.35045 2.37831 2.39080 2.43591 2.45358 2.47756 2.49308 2.49914 2.54635 2.57340 2.58890 2.59742 2.63634 2.64778 2.65886 2.69884 2.72199 2.76364 2.78663 2.80026 2.81458 2.84148 2.85731 2.88094 2.89324 2.94886 2.99068 3.01420 3.04908 3.08326 3.11146 3.13017 3.19753 3.21213 3.26493 3.33674 3.53051 3.57224 3.64838 4.32953 4.56840 4.59344 4.61583 4.66236 4.71161 4.74749 4.87946 4.89784 4.93160 5.02100 5.15009
13.57864
2.5246 1.4336 -0.3241
2.9213
|XX|YY|ZZ|XY|XZ|YZ|
-68.9997 -71.3265 -73.4119 -2.6912 0.2464 -0.5580
|XX|YY|ZZ|XY|XZ|YZ|
2.2463 -0.0805 -2.1659 -2.6912 0.2464 -0.5580
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-12.8253 6.6924 2.5427 9.5814 6.5862 -4.4131 4.9772 -0.9693 -3.9835 -0.1717
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-2149.5909 -616.6848 -173.3893 9.1768 -12.5803 -3.5637 -5.7064 1.8839 1.0816 -467.0164 -393.9264 -138.8600 -0.8592 2.8406 2.1706
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 67 68 69 70 71 72
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
81.8238 103.1422 141.4976 217.0253 237.7384 241.9879 264.1140 306.1057 350.0518 409.5535 438.9774 502.9101 545.3810 588.4130 679.7227 739.6551 773.9898 787.3516 819.3590 869.8462 883.4672 915.8804 984.1036 1019.2316 1028.4083 1066.3109 1075.0135 1091.6228 1132.4746 1160.3405 1171.1928 1183.4139 1195.7284 1229.6459 1254.6939 1268.3425 1298.0144 1302.7060 1325.5637 1352.2111 1426.5830 1463.8286 1477.2464 1497.3104 1515.4344 1529.9004 1565.8953 1568.7439 1574.8826 1621.5338 1628.8370 1633.0845 1642.2779 1644.6138 1660.9260 1669.3434 1696.3490 1773.0062 3195.6358 3202.0641 3206.2226 3212.8539 3255.3785 3263.2714 3269.6082 3300.2098 3304.0959 3315.4057 3324.6996 3356.9447 3396.2892 3433.2089
3.1603 1.0622 3.3358 3.0260 2.8838 1.3244 1.8050 2.8108 2.5081 4.5160 4.4896 3.4849 3.3724 2.3152 3.8852 5.1959 2.7278 3.7053 2.3180 2.4650 1.7690 1.5273 1.8798 1.9195 1.6450 2.0871 2.4197 1.5739 2.5501 2.6956 1.5114 1.4599 1.3129 1.6546 1.4279 1.3491 1.6597 2.5323 1.4639 2.0378 1.6566 1.6508 1.7189 2.4007 1.6295 2.0705 1.2845 1.6083 1.6930 1.8414 1.0449 1.2451 1.0558 1.0553 1.8341 1.2221 3.9341 6.3486 1.0775 1.0437 1.0389 1.0717 1.1023 1.1030 1.1029 1.1011 1.0949 1.0586 1.0881 1.0925 1.1171 1.0985
0.0125 0.0067 0.0394 0.0840 0.0960 0.0457 0.0742 0.1552 0.1811 0.4463 0.5097 0.5193 0.5910 0.4723 1.0576 1.6748 0.9628 1.3533 0.9169 1.0989 0.8135 0.7548 1.0726 1.1748 1.0250 1.3982 1.6475 1.1050 1.9269 2.1383 1.2215 1.2046 1.1060 1.4740 1.3244 1.2787 1.6476 2.5319 1.5155 2.1953 1.9863 2.0841 2.2100 3.1711 2.2048 2.8553 1.8558 2.3320 2.4740 2.8527 1.6334 1.9564 1.6777 1.6817 2.9811 2.0065 6.6699 11.7584 6.4829 6.3052 6.2926 6.5179 6.8825 6.9203 6.9467 7.0661 7.0425 6.8556 7.0864 7.2535 7.5918 7.6286
1.0628 0.0019 0.0128 2.5223 3.6012 1.5553 1.8958 0.2390 2.3606 1.8082 0.2345 3.9198 0.2081 0.1099 1.9054 1.0382 2.9263 3.9302 12.5163 7.7136 27.5970 15.8424 4.0272 13.2710 2.9164 7.0960 1.5279 3.3091 7.7572 2.7071 1.3807 0.7113 3.6267 0.2350 0.9541 0.3897 4.9512 0.6705 4.2378 7.2613 22.2210 1.5232 22.6811 71.5226 9.1360 30.6638 1.7165 12.3029 16.0796 20.5543 4.4017 5.8087 3.7516 2.3262 4.4827 2.6772 14.7877 85.7765 7.2950 30.6451 46.3274 67.1723 33.1229 37.4233 40.9328 17.6669 21.1287 22.9240 21.6313 12.6298 18.2917 4.6739
1.3778 0.0612 0.7312 0.8031 0.3657 0.2360 1.0919 1.4183 0.7721 7.5254 2.6458 0.1516 3.3403 0.9641 10.9972 0.9411 1.1018 5.6643 3.7998 4.6391 0.8424 6.0690 8.2809 4.6982 6.1678 4.7505 13.4270 4.4637 7.5703 5.4457 1.5492 6.4165 1.3589 6.2124 5.0905 2.5873 2.1041 3.8460 11.7481 10.9730 9.3000 7.3278 9.6361 9.4453 8.1191 9.7551 0.8218 9.7495 4.6583 9.3306 19.5231 29.9125 13.3875 13.7891 12.6833 16.2252 31.7543 8.6405 71.3501 113.5834 158.5541 72.8373 96.6173 59.7172 57.8547 69.0958 81.6667 61.2042 129.7627 103.4523 72.4878 80.7644
0.7488 0.7492 0.7287 0.6789 0.6721 0.6962 0.7500 0.6649 0.3073 0.2299 0.4634 0.2023 0.7337 0.4190 0.1635 0.6730 0.6627 0.2554 0.7452 0.2864 0.5200 0.7077 0.6181 0.7448 0.7453 0.3567 0.4753 0.7009 0.1267 0.3637 0.7486 0.6213 0.6256 0.4118 0.5010 0.7382 0.0489 0.6217 0.2561 0.5034 0.7103 0.7477 0.5046 0.3710 0.6794 0.5659 0.6355 0.7290 0.7164 0.6037 0.7497 0.5645 0.7444 0.7348 0.3251 0.3226 0.3261 0.3101 0.5584 0.0293 0.0345 0.0875 0.7499 0.7479 0.7026 0.7216 0.3973 0.2914 0.2371 0.2195 0.5496 0.2939
0.8564 0.8566 0.8430 0.8087 0.8039 0.8209 0.8571 0.7987 0.4702 0.3739 0.6333 0.3365 0.8464 0.5906 0.2810 0.8045 0.7971 0.4069 0.8540 0.4453 0.6842 0.8288 0.7639 0.8537 0.8541 0.5259 0.6443 0.8241 0.2249 0.5334 0.8562 0.7665 0.7697 0.5834 0.6676 0.8494 0.0933 0.7667 0.4078 0.6697 0.8306 0.8556 0.6708 0.5412 0.8091 0.7228 0.7771 0.8433 0.8348 0.7529 0.8570 0.7216 0.8535 0.8472 0.4907 0.4878 0.4919 0.4734 0.7167 0.0570 0.0666 0.1608 0.8571 0.8558 0.8254 0.8383 0.5687 0.4513 0.3833 0.3600 0.7093 0.4543
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 25 26
6 6 6 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 14.00307 14.00307 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 1.00783 1.00783
815.82254 2758.29945 3355.06727
0.99994 -0.01090 0.00206 0.01090 0.99994 -0.00086 -0.00205 0.00088 1.00000
1
0.10617 0.03140 0.02582
2.21217 0.65429 0.53792
117.73 148.40 203.58 312.25 342.05 348.17 380.00 440.42 503.65 589.26 631.59 723.58 784.68 846.60 977.97 1064.20 1113.60 1132.82 1178.87 1251.51 1271.11 1317.75 1415.91 1466.45 1479.65 1534.18 1546.70 1570.60 1629.38 1669.47 1685.09 1702.67 1720.39 1769.19 1805.22 1824.86 1867.55 1874.30 1907.19 1945.53 2052.53 2106.12 2125.43 2154.30 2180.37 2201.19 2252.97 2257.07 2265.90 2333.03 2343.53 2349.64 2362.87 2366.23 2389.70 2401.81 2440.67 2550.96 4597.81 4607.06 4613.04 4622.58 4683.76 4695.12 4704.24 4748.27 4753.86 4770.13 4783.50 4829.89 4886.50 4939.62
0.242996
0.252977
0.253921
0.207580
-495.448778
-495.438796
-495.437852
-495.484193
1.554285D-04
MUNgauss
RevisionA2.1
retrievium
20-Dec-2022
GDB_13 Smiles: CC1CN2N=C(C)C=C2C2CC12
RHF
6-31G(d)
(6D,10F)
C1
162.115699
|X|Y|Z|
39.880236 21.731520 11.530507
21.539324
10
|36.858105|
|12.452803|36.858105|
|7.573643|12.418910|36.858105|
|5.029279|7.769613|13.197314|53.358707|
|3.875761|5.194158|7.842990|19.359958|53.358707|
|3.236359|4.231638|5.465329|12.319082|19.892588|36.858105|
|2.610829|3.205456|3.934615|7.316744|10.622899|12.710518|36.858105|
|3.366845|4.541108|5.326032|11.939223|11.561981|13.454109|7.272673|36.858105|
|4.393949|6.589056|7.677947|19.337056|11.645935|8.662512|5.194588|13.934771|36.858105|
|4.904317|7.317977|6.501270|10.618042|7.177974|5.191666|3.724803|7.286321|12.882081|36.858105|
|5.579687|7.201971|6.243053|8.331706|5.951701|4.097434|3.121145|5.057383|7.390531|12.629713|36.858105|
|7.544426|12.511227|7.498695|9.152191|6.225168|4.119003|3.112941|4.932344|7.521110|12.676625|12.742783|36.858105|
|17.539776|8.766255|6.955612|6.288901|5.136406|3.092765|2.549665|3.090453|3.868365|4.028661|4.351017|5.484668|0.500000|
|17.555189|8.785757|5.497147|5.631007|4.479428|2.856167|2.350353|3.025539|3.843271|4.475489|5.014124|6.880288|0.301838|0.500000|
|17.545309|8.777338|6.798769|6.372558|4.987509|3.095864|2.517437|3.231199|4.168962|4.695986|5.950859|6.815635|0.301031|0.301657|0.500000|
|8.901650|17.514777|8.967462|9.395171|6.805791|4.149250|3.198465|4.390613|5.991981|6.308101|5.490727|9.031669|0.212182|0.213792|0.173436|0.500000|
|6.695871|8.806009|17.630701|12.675790|10.235828|5.058195|3.859424|4.556033|5.800238|4.876838|4.622869|5.508760|0.200179|0.139222|0.160959|0.222604|0.500000|
|7.128282|8.781332|17.534541|12.453409|8.878229|4.821041|3.627019|4.703591|6.369422|5.729067|6.376348|6.489954|0.181281|0.142708|0.209688|0.174817|0.302915|0.500000|
|2.402904|2.888463|3.483581|6.239023|8.197950|8.885782|17.545692|6.447254|4.637226|3.474426|2.993700|2.879392|0.064739|0.060441|0.065506|0.078581|0.093125|0.092566|0.500000|
|2.433722|2.974137|3.481066|6.258992|8.225736|8.884742|17.544659|6.428492|4.636374|3.474411|2.864729|2.918253|0.066052|0.061892|0.064476|0.084578|0.095586|0.087785|0.302079|0.500000|
|2.565620|3.080166|3.856464|6.753634|10.201652|8.955188|17.600455|5.486655|4.434130|3.298860|2.861785|2.886561|0.071048|0.063763|0.068699|0.085571|0.109790|0.099657|0.300664|0.300715|0.500000|
|2.926544|3.779963|4.157588|8.068106|7.921967|8.502752|6.315123|17.794007|8.695825|6.256913|4.492189|4.270673|0.074573|0.074976|0.078660|0.102719|0.101166|0.105354|0.170004|0.169201|0.131408|0.500000|
|4.023865|5.462555|4.812289|7.764913|5.929200|4.570803|3.463954|6.579577|8.805457|17.723719|8.591105|8.559376|0.094187|0.107342|0.106876|0.142537|0.108330|0.120271|0.091042|0.092752|0.084152|0.178879|0.500000|
|4.662163|5.387903|4.638709|6.230343|4.818117|3.427313|2.730978|4.199019|5.482850|8.584889|17.710443|8.607667|0.103302|0.124199|0.140365|0.122783|0.102409|0.132972|0.074017|0.070698|0.069642|0.109838|0.212033|0.500000|
|5.483712|6.652464|6.802602|8.726353|6.339816|4.225784|3.224495|4.926881|6.912969|8.566757|17.712452|8.539361|0.122874|0.129303|0.174465|0.137830|0.137426|0.222026|0.086792|0.080119|0.083286|0.118607|0.171640|0.293455|0.500000|
|6.730381|8.705109|5.451689|6.781229|5.051889|3.445915|2.720125|4.083253|5.574827|8.665150|8.696050|17.681568|0.138564|0.200321|0.165404|0.215192|0.123009|0.134811|0.070345|0.072408|0.070339|0.103159|0.212880|0.214401|0.171208|0.500000|
495.297287
-2583.557096
948.751843
-70.305243
-1209.813209
714.121434
-495.691774
2.000796
406BFFFFFFFFFFF6
419522213C000000
412EBD479D1745D1
40E3746000000000
C008000000000000
418C767B07FFFFFF