Version2.5
2022-11-17T17:37:19Z
10.1021/ja902302h
Gaussian16
RevisionB.01
SBUNGAY
11-Nov-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1N(C=N)C(C=C)C=C1C#N
RHF
6-31G(d)
(6D,7F)
CC1N(C=N)C(C=C)C=C1C#N
C1[X(C9H11N3)]
63
C1
202
CC1N(C=N)C(C=C)C=C1C#N
C=CC1C=C(C(N1C=N)C)C#N
CC1N(C=N)C(C=C)C=C1C#N
InChIKey=MEAVVTFDYQQYEC-UHFFFAOYSA-N
InChI=1S/C9H11N3/c1-3-9-4-8(5-10)7(2)12(9)6-11/h3-4,6-7,9,11H,1H2,2H3
InChI=1/C9H11N3/c1-3-9-4-8(5-10)7(2)12(9)6-11/h3-4,6-7,9,11H,1H2,2H3
CC1N(C=N)C(C=C)C=C1C#N
C01[X(C9H11N3)]
63
C1
202
CC1N(C=N)C(C=C)C=C1C#N
NC[C@@H]1C[C@@H](N([C@@H]1C)CN)CC
CC[C@H]1C[C@@H](CN)[C@@H](C)N1CN
InChIKey=RDPMCAXMQJUJDD-VGMNWLOBSA-N
InChI=1S/C9H21N3/c1-3-9-4-8(5-10)7(2)12(9)6-11/h7-9H,3-6,10-11H2,1-2H3/t7-,8+,9+/m1/s1
InChI=1/C9H21N3/c1-3-9-4-8(5-10)7(2)12(9)6-11/h7-9H,3-6,10-11H2,1-2H3/t7-,8+,9+/m1/s1
5.099365858932D+02
-2.510068786531D+03
659.7677703594
-510.5068148
1-A
2180.8655
43
159
202
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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|
0.10220 0.17971 0.19070 0.20587 0.22429 0.24596 0.25852 0.26396 0.27679 0.28858 0.29600 0.29897 0.31080 0.32257 0.34187 0.35697 0.36503 0.38448 0.39601 0.41015 0.45016 0.46704 0.49649 0.51080 0.52522 0.57819 0.59779 0.63480 0.68094 0.70473 0.71889 0.73478 0.74376 0.75737 0.76930 0.78263 0.79432 0.81681 0.81890 0.82200 0.83892 0.85718 0.86884 0.88789 0.89672 0.90889 0.92421 0.94933 0.96937 1.00226 1.02734 1.03834 1.04426 1.06471 1.07904 1.08631 1.10101 1.12175 1.12794 1.13821 1.14360 1.15033 1.16905 1.18084 1.18969 1.20514 1.22429 1.23022 1.24938 1.26037 1.26654 1.29335 1.32788 1.34733 1.39198 1.42106 1.44258 1.45506 1.50483 1.53290 1.55342 1.57792 1.60184 1.64409 1.67256 1.72660 1.74222 1.77413 1.78334 1.79670 1.81145 1.83491 1.91127 1.94658 1.97387 1.98640 2.00098 2.03633 2.07401 2.08412 2.13202 2.13697 2.16924 2.17436 2.18243 2.19978 2.26393 2.27073 2.27602 2.28973 2.30034 2.32777 2.32994 2.38413 2.41569 2.46090 2.48128 2.50180 2.53046 2.56264 2.58090 2.59957 2.63121 2.64056 2.68414 2.71984 2.75144 2.77815 2.83562 2.85538 2.88775 2.91389 2.92010 2.96958 3.00103 3.04120 3.08130 3.12637 3.15984 3.19214 3.20747 3.25354 3.26082 3.33111 3.44391 3.54617 3.77330 4.25135 4.45235 4.50772 4.55654 4.57645 4.63635 4.68185 4.77710 4.82512 4.96043 5.01730 5.19537
12.32639
2.3035 1.4533 0.4796
2.7656
|XX|YY|ZZ|XY|XZ|YZ|
-95.8241 -61.0329 -70.9317 -4.7450 -1.0821 -0.1196
|XX|YY|ZZ|XY|XZ|YZ|
-19.8945 14.8966 4.9979 -4.7450 -1.0821 -0.1196
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
100.3092 24.7853 3.3827 20.1023 19.9507 11.9869 2.5585 -1.6649 -5.5630 -2.5760
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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0
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161.09530
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
56.6749 71.0409 89.6923 138.5777 143.9793 201.5916 240.0420 255.4742 289.6746 338.3787 362.9388 410.6161 460.7127 483.7216 520.6085 606.8940 684.1312 704.5194 730.7270 797.5111 861.2022 884.6560 918.5362 1000.1438 1036.7356 1090.2006 1094.8364 1122.9220 1139.6427 1174.7930 1189.8126 1214.2043 1246.2859 1256.8329 1284.3982 1338.7587 1391.7073 1431.0389 1457.2257 1458.7932 1473.9398 1512.7465 1528.0026 1565.5392 1586.8353 1597.7589 1637.0276 1637.5164 1862.0433 1879.5168 1888.2023 2605.9887 3188.0986 3211.5677 3243.3242 3272.2247 3278.7621 3290.8620 3329.5338 3345.4361 3416.7628 3417.6693 3773.9471
3.9012 3.1948 5.0331 3.7363 6.4079 3.2775 2.2307 1.1876 2.6942 3.2263 2.6058 2.7551 6.0285 4.7447 4.9335 5.4113 3.1161 4.5527 2.3434 2.9055 2.6455 1.3770 2.3279 1.7113 1.5094 1.3238 2.3036 1.5822 1.4604 1.6151 1.3506 2.0240 2.0998 1.8980 1.9793 2.8446 1.2757 1.3412 1.7478 2.3047 1.2661 1.3822 1.8661 1.2868 1.8453 1.2097 1.0533 1.0805 7.5473 4.3689 5.7674 12.6929 1.0850 1.0363 1.0854 1.0932 1.1008 1.1045 1.0676 1.0873 1.1172 1.0981 1.0771
0.0074 0.0095 0.0239 0.0423 0.0783 0.0785 0.0757 0.0457 0.1332 0.2177 0.2022 0.2737 0.7539 0.6541 0.7878 1.1743 0.8593 1.3314 0.7372 1.0888 1.1560 0.6350 1.1572 1.0085 0.9558 0.9270 1.6269 1.1755 1.1175 1.3133 1.1265 1.7581 1.9216 1.7665 1.9238 3.0039 1.4558 1.6183 2.1867 2.8898 1.6206 1.8636 2.5671 1.8581 2.7377 1.8195 1.6631 1.7071 15.4178 9.0932 12.1150 50.7874 6.4972 6.2973 6.7272 6.8967 6.9725 7.0475 6.9731 7.1698 7.6845 7.5568 9.0382
1.3392 0.5219 1.3575 4.4449 8.6805 4.7921 29.8370 0.9337 4.2381 10.8715 9.4501 3.2325 2.4540 17.5657 8.2359 3.6051 11.5891 6.3858 51.6858 7.6912 13.6913 33.8602 2.5929 10.5299 9.1019 49.5586 0.8367 7.2108 12.9372 1.7587 7.6945 12.1370 11.8658 30.7917 79.5433 80.1913 1.6212 13.3637 29.8075 64.5007 4.1260 31.8951 148.5262 12.3373 30.3933 9.9100 3.0795 0.4196 116.1533 0.1698 287.0679 48.0913 35.6253 19.8982 9.5584 29.5832 42.1041 39.8833 15.6104 7.8187 17.4651 1.2575 2.0581
1.3860 5.3964 1.3265 4.1199 2.7918 0.7759 4.8720 0.4255 2.8289 0.9660 2.3256 6.5033 8.2139 2.2017 2.0042 2.9583 3.9131 3.0948 4.4991 4.4263 12.6085 5.7753 1.9041 2.9862 11.0321 1.3414 5.7947 1.3551 5.7785 3.4755 1.7450 4.8637 9.9583 5.1311 3.1461 4.5961 12.3553 12.0647 15.3466 6.6160 20.6447 10.7802 9.0250 1.1106 9.2603 10.0379 13.5162 16.1079 61.5037 81.6743 72.1549 264.1345 86.0786 106.1568 59.8508 51.6437 87.7495 47.1877 35.5012 112.8625 83.6272 81.9133 194.3412
0.7322 0.7300 0.7500 0.7314 0.7426 0.6397 0.7500 0.7495 0.7479 0.6504 0.3413 0.6333 0.1894 0.6006 0.6833 0.7492 0.7235 0.1541 0.6198 0.6784 0.1955 0.7273 0.6523 0.7052 0.6646 0.7035 0.7190 0.7272 0.7333 0.6075 0.7218 0.1587 0.3913 0.7475 0.6484 0.3059 0.5678 0.3362 0.4621 0.6546 0.5236 0.6976 0.6876 0.6148 0.1465 0.3762 0.7279 0.7497 0.4205 0.2166 0.2041 0.3003 0.4232 0.0105 0.2222 0.2947 0.6575 0.6330 0.3593 0.1651 0.6558 0.3672 0.3209
0.8454 0.8440 0.8571 0.8449 0.8523 0.7802 0.8571 0.8568 0.8558 0.7882 0.5089 0.7755 0.3185 0.7504 0.8118 0.8566 0.8396 0.2671 0.7653 0.8084 0.3271 0.8421 0.7895 0.8271 0.7985 0.8260 0.8365 0.8421 0.8461 0.7558 0.8384 0.2740 0.5625 0.8555 0.7867 0.4685 0.7243 0.5033 0.6321 0.7912 0.6873 0.8219 0.8149 0.7615 0.2555 0.5467 0.8425 0.8570 0.5921 0.3560 0.3390 0.4619 0.5947 0.0208 0.3636 0.4552 0.7933 0.7753 0.5287 0.2835 0.7922 0.5372 0.4859
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
6 6 7 6 7 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 14.00307 12.00000 14.00307 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
1197.16482 2703.52347 3390.44437
0.99937 -0.03439 -0.00907 0.03450 0.99933 0.01227 0.00865 -0.01257 0.99988
1
0.07235 0.03204 0.02555
1.50751 0.66755 0.53230
81.54 102.21 129.05 199.38 207.15 290.05 345.37 367.57 416.78 486.85 522.19 590.78 662.86 695.97 749.04 873.19 984.31 1013.65 1051.35 1147.44 1239.08 1272.82 1321.57 1438.98 1491.63 1568.56 1575.23 1615.63 1639.69 1690.27 1711.87 1746.97 1793.13 1808.30 1847.96 1926.18 2002.36 2058.95 2096.62 2098.88 2120.67 2176.50 2198.45 2252.46 2283.10 2298.82 2355.32 2356.02 2679.06 2704.21 2716.70 3749.44 4586.96 4620.73 4666.42 4708.00 4717.41 4734.82 4790.46 4813.34 4915.96 4917.26 5429.87
0.202127
0.213397
0.214341
0.164427
-510.304688
-510.293418
-510.292474
-510.342387
1.674090D-04
MUNgauss
RevisionA2.1
retrievium
17-Nov-2022
GDB_13 Smiles: CC1N(C=N)C(C=C)C=C1C#N
RHF
6-31G(d)
(6D,10F)
C1
161.095297
|X|Y|Z|
37.073453 24.367423 14.582203
23.617391
5
|36.858105|
|12.465798|36.858105|
|7.627935|13.033916|53.358707|
|5.814023|7.743351|18.997808|36.858105|
|4.247671|5.273734|11.236757|15.153679|53.358707|
|5.353437|7.782621|17.739977|7.770367|9.248662|36.858105|
|4.551107|5.400134|10.450407|5.829559|7.712377|12.613423|36.858105|
|3.485343|4.004453|7.279343|4.719823|6.977367|7.624521|14.470216|36.858105|
|5.481002|8.088223|11.279095|5.351483|6.228385|12.647545|7.624950|5.375587|36.858105|
|7.485632|12.581611|11.306385|5.350713|5.781767|8.144335|5.574117|4.122692|14.442561|36.858105|
|6.009469|7.377154|7.044237|3.895679|4.415295|5.101586|4.045136|3.230781|7.768722|13.257345|36.858105|
|4.810365|5.287056|5.408130|3.191007|3.714692|3.920891|3.292569|2.737760|5.415408|7.403014|16.761702|53.358707|
|17.559034|8.811278|9.306558|6.128135|6.023723|4.666266|4.097377|3.260499|4.418050|5.478318|4.553615|5.234132|0.500000|
|17.554107|8.798660|7.562254|4.505365|4.745658|4.336113|3.737129|2.975185|4.769580|6.718979|6.477998|7.509984|0.301527|0.500000|
|17.575150|8.817157|9.450468|5.202359|5.469337|5.431727|5.080612|3.794349|5.523183|6.849547|5.533790|6.120649|0.301031|0.299982|0.500000|
|8.888907|17.507307|12.308582|7.205475|6.839990|6.019143|4.304254|3.418261|6.227510|8.900115|6.588138|6.887962|0.212922|0.213687|0.173675|0.500000|
|6.179357|7.393657|12.675820|17.578327|12.539418|5.629671|4.518086|3.764119|4.463321|4.822247|3.722510|4.243195|0.201924|0.134574|0.143749|0.213457|0.500000|
|3.764288|4.417321|8.242224|10.209451|25.882674|5.017200|4.418141|4.160064|3.720419|3.570835|2.851466|3.340498|0.112852|0.087994|0.098032|0.122189|0.238419|0.500000|
|4.280284|6.008953|12.361390|7.291891|10.112724|17.563738|8.953551|7.316918|8.864970|6.219025|4.337083|4.725451|0.108501|0.100501|0.116882|0.146295|0.146048|0.150284|0.500000|
|4.998072|5.375677|9.320231|5.166026|6.463162|8.658883|17.667762|9.146937|6.768455|5.492036|4.117734|4.598544|0.122797|0.112923|0.168752|0.115808|0.118440|0.107867|0.172511|0.500000|
|3.141358|3.703854|6.702648|4.597059|7.256091|6.927667|9.101408|17.706721|4.942980|3.809634|3.025859|3.519989|0.082604|0.075604|0.091684|0.091111|0.101405|0.120746|0.220235|0.173481|0.500000|
|3.118399|3.403960|5.831391|3.893885|5.698587|5.471119|9.112602|17.717486|4.310519|3.488054|2.853587|3.367579|0.081964|0.075100|0.095940|0.081664|0.090222|0.099227|0.143916|0.218071|0.288977|0.500000|
|4.296321|5.613246|7.782099|4.190723|5.182961|8.389590|6.537583|5.129229|17.752125|8.928706|6.799460|7.058370|0.099312|0.109108|0.123049|0.130885|0.099637|0.088478|0.198496|0.162721|0.133466|0.117430|0.500000|
509.936506
-2510.068577
900.377359
-70.519920
-1170.274632
659.767818
-510.506814
2.001118
400FFFFFFFFFFFFE
41ADBA33E3FFFFFE
41461F681ACA6B28
4070300000000000
3FF0000000000000
40BEED0000000000