Version2.5
2023-01-06T14:17:34Z
10.1021/ja902302h
Gaussian16
RevisionB.01
RPOIRIER
27-Dec-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: CC1N=CNC2C3CC(C3)C=C12
RHF
6-31G(d)
(6D,7F)
CC1N=CNC2C3CC(C3)C=C12
C1[X(C10H14N2)]
72
C1
208
CC1N=CNC2C3CC(C3)C=C12
CC1N=CNC2C1=CC1CC2C1
CC1N=CNC2C3CC(C3)C=C12
InChIKey=PJBLUQSYQOTURP-UHFFFAOYSA-N
InChI=1S/C10H14N2/c1-6-9-4-7-2-8(3-7)10(9)12-5-11-6/h4-8,10H,2-3H2,1H3,(H,11,12)
InChI=1/C10H14N2/c1-6-9-4-7-2-8(3-7)10(9)12-5-11-6/h4-8,10H,2-3H2,1H3,(H,11,12)/f/h12H
CC1N=CNC2C3CC(C3)C=C12
C01[X(C10H14N2)]
72
C1
208
CC1N=CNC2C3CC(C3)C=C12
C[C@H]1NCN[C@H]2[C@@H]1C[C@@H]1C[C@H]2C1
C[C@H]1NCN[C@@H]2C3CC(C3)C[C@H]12
InChIKey=SGQYPOWZBZAUOP-HOTMZDKISA-N
InChI=1S/C10H18N2/c1-6-9-4-7-2-8(3-7)10(9)12-5-11-6/h6-12H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
InChI=1/C10H18N2/c1-6-9-4-7-2-8(3-7)10(9)12-5-11-6/h6-12H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
4.953112111254D+02
-2.621806956936D+03
732.9072993156
-495.6712424
1-A
1836.8784
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|
-15.57196 -15.52182 -11.29579 -11.26711 -11.24757 -11.23246 -11.23017 -11.22228 -11.22182 -11.21988 -11.21774 -11.20380 -1.28240 -1.18420 -1.16195 -1.06455 -0.99455 -0.97107 -0.90088 -0.85879 -0.84421 -0.80821 -0.73688 -0.70406 -0.70338 -0.66930 -0.64696 -0.62719 -0.60713 -0.58780 -0.56231 -0.54608 -0.53461 -0.52961 -0.52431 -0.49654 -0.48575 -0.47159 -0.45868 -0.44300 -0.42014 -0.38125 -0.34011 -0.33079
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.17380 0.20820 0.22321 0.24437 0.25698 0.27606 0.28946 0.29599 0.30016 0.31097 0.32816 0.33255 0.34051 0.35007 0.35485 0.35594 0.36406 0.38329 0.39915 0.41158 0.42199 0.42814 0.45043 0.46653 0.49681 0.50880 0.52942 0.55101 0.57264 0.59715 0.71563 0.72748 0.74170 0.74884 0.76941 0.78734 0.79605 0.80943 0.81646 0.85042 0.86531 0.86728 0.89391 0.89878 0.91241 0.93017 0.94041 0.95765 0.96014 0.96968 0.99085 1.00711 1.03112 1.05092 1.08885 1.10298 1.11049 1.12014 1.12589 1.13145 1.13245 1.13768 1.15459 1.16167 1.18061 1.18653 1.19620 1.20475 1.20809 1.22503 1.23355 1.26067 1.26627 1.26767 1.27974 1.28956 1.30789 1.34767 1.35890 1.39240 1.42570 1.49336 1.51942 1.57695 1.62287 1.63817 1.66763 1.70194 1.73392 1.77376 1.81337 1.83517 1.84949 1.89373 1.91981 1.93442 1.97846 1.99441 2.02443 2.05128 2.06999 2.08223 2.10928 2.13877 2.18127 2.21303 2.21938 2.23869 2.25331 2.26257 2.30065 2.33293 2.34817 2.35627 2.37182 2.41927 2.43659 2.44497 2.47145 2.51562 2.52624 2.55252 2.57461 2.59412 2.61075 2.62844 2.65144 2.67191 2.71918 2.72636 2.76157 2.79137 2.79957 2.83786 2.85587 2.86274 2.90286 2.93075 2.93897 2.96602 2.99651 3.01113 3.04425 3.09733 3.10031 3.14034 3.20853 3.25370 3.33405 3.35328 3.48474 3.58158 4.36595 4.48736 4.61875 4.66388 4.72621 4.76436 4.78077 4.83650 5.00218 5.03061 5.09592 5.22423
13.73048
2.3937 0.9570 1.5399
3.0028
|XX|YY|ZZ|XY|XZ|YZ|
-79.0824 -65.5529 -73.2348 -0.5815 -2.5329 3.9984
|XX|YY|ZZ|XY|XZ|YZ|
-6.4591 7.0705 -0.6114 -0.5815 -2.5329 3.9984
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
32.8416 23.6482 1.9359 -10.7230 0.4634 7.0363 1.8872 0.5430 1.1588 -0.4669
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-1622.4876 -589.1647 -311.2784 8.0547 -23.3858 -31.4554 24.5454 -2.1974 7.2892 -345.5120 -322.2825 -152.8489 8.0881 2.9698 -1.0788
0
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162.11570
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|
83.5378 132.8979 191.8801 258.3309 294.6003 304.7715 398.0075 406.8304 446.6212 505.8001 526.3391 567.0364 591.8926 627.5246 667.8891 727.4367 835.2882 887.6801 903.1551 933.2312 950.2559 956.2982 993.5614 1006.4078 1040.4412 1046.1631 1089.1894 1098.3337 1110.4707 1137.8196 1167.5927 1180.1366 1199.3568 1212.3703 1225.2376 1237.9030 1269.7946 1298.2720 1325.3018 1381.2417 1391.8730 1404.8542 1436.5016 1445.9372 1470.5085 1482.8542 1494.2463 1518.4200 1532.3823 1549.8785 1558.0628 1632.4549 1634.0674 1641.6074 1653.6208 1664.2457 1899.0898 1917.1538 3138.1585 3205.3671 3221.2816 3221.3956 3227.6164 3241.1192 3269.8378 3271.6197 3279.2504 3284.0160 3298.9637 3328.3627 3347.3181 3837.5483
3.6525 3.3539 3.5736 1.0989 2.8122 2.8612 3.2244 2.6973 2.2869 1.9246 3.3072 3.0120 2.1514 3.0188 3.9268 3.3650 4.7500 1.7814 2.8818 2.9168 2.4087 1.8630 2.7807 1.8590 2.2662 2.3826 1.5074 1.8900 2.4425 1.9902 2.4171 1.5089 1.2316 1.5491 1.8895 1.3001 1.6551 2.0723 1.9972 1.3468 1.5436 1.5759 1.6084 1.3796 1.3929 1.4842 1.6975 1.5777 1.6784 1.2863 1.2718 1.1000 1.0554 1.0509 1.4625 1.2354 7.7190 7.4412 1.0829 1.0358 1.0833 1.0801 1.0614 1.0733 1.1030 1.0922 1.1064 1.1030 1.1053 1.0924 1.0934 1.0776
0.0150 0.0349 0.0775 0.0432 0.1438 0.1566 0.3009 0.2630 0.2688 0.2901 0.5398 0.5706 0.4441 0.7004 1.0320 1.0491 1.9526 0.8271 1.3849 1.4967 1.2815 1.0038 1.6173 1.1094 1.4454 1.5364 1.0537 1.3433 1.7746 1.5181 1.9414 1.2381 1.0438 1.3415 1.6712 1.1738 1.5724 2.0579 2.0668 1.5139 1.7619 1.8324 1.9555 1.6994 1.7746 1.9228 2.2331 2.1432 2.3221 1.8205 1.8190 1.7272 1.6604 1.6686 2.3562 2.0159 16.4022 16.1142 6.2833 6.2703 6.6228 6.6042 6.5144 6.6432 6.9485 6.8878 7.0102 7.0087 7.0874 7.1301 7.2182 9.3502
1.2258 0.1236 2.9819 0.0339 0.0940 0.5586 4.5017 28.1282 29.0012 78.3298 1.7631 1.3601 39.3261 6.9984 2.9214 9.6913 4.5622 0.3375 8.2008 10.6272 2.9439 5.9935 3.5037 13.1534 11.2549 4.4573 8.4405 4.1990 14.6831 6.8284 9.7151 0.6747 0.7864 3.8676 3.5379 6.3590 2.6051 78.5783 13.6295 0.1931 2.1152 11.2304 2.8408 47.3307 10.1632 3.3114 5.0064 24.6300 40.0857 2.8406 3.0469 1.3222 6.5293 1.4755 66.6237 24.5986 1.3661 256.3972 51.5618 35.2559 11.2532 50.0818 61.8920 74.0675 62.4399 45.1934 76.2152 32.2241 35.0579 64.0341 24.9342 19.7349
0.5216 0.4875 1.4848 0.1215 2.6583 0.8438 4.0774 3.8789 2.9417 2.7974 1.9709 1.6320 2.7174 3.7462 4.2890 5.0124 4.3657 2.1641 3.9810 5.8930 10.7230 5.8375 3.1461 8.9604 1.4926 4.5392 5.0540 2.0103 3.4941 3.4956 6.6283 3.8544 6.1518 6.8791 3.1266 10.4454 4.3556 1.9647 11.5711 0.1344 14.9865 3.3284 4.4409 6.1202 7.9509 6.1871 4.9135 1.7615 4.1655 4.1251 4.0385 12.6479 12.8657 14.4631 3.9588 7.0763 36.7886 20.2993 62.9829 93.1670 132.2000 53.9719 17.0423 201.9087 42.4818 123.9615 100.3368 124.3196 65.9307 166.1046 108.3077 106.3589
0.7363 0.7196 0.7186 0.7500 0.4102 0.7460 0.6105 0.5897 0.3017 0.7479 0.2975 0.4709 0.4887 0.1091 0.6639 0.0575 0.1945 0.7047 0.4756 0.2323 0.1035 0.6930 0.4581 0.3829 0.0963 0.5554 0.7106 0.7200 0.1884 0.2736 0.5730 0.3628 0.7436 0.5195 0.7230 0.6989 0.5933 0.6343 0.4013 0.7494 0.7497 0.7476 0.3947 0.4702 0.6950 0.5129 0.7256 0.7230 0.3548 0.3686 0.6453 0.7475 0.6740 0.7495 0.6933 0.7474 0.2486 0.2505 0.3579 0.0075 0.6026 0.4202 0.5293 0.1164 0.5851 0.2198 0.4749 0.5839 0.7323 0.3085 0.2526 0.2742
0.8481 0.8369 0.8363 0.8571 0.5818 0.8545 0.7581 0.7419 0.4636 0.8558 0.4586 0.6403 0.6565 0.1967 0.7980 0.1088 0.3257 0.8268 0.6446 0.3770 0.1876 0.8187 0.6284 0.5537 0.1757 0.7141 0.8308 0.8372 0.3171 0.4297 0.7285 0.5324 0.8529 0.6838 0.8393 0.8228 0.7447 0.7763 0.5728 0.8567 0.8570 0.8556 0.5660 0.6396 0.8201 0.6780 0.8410 0.8392 0.5237 0.5386 0.7844 0.8555 0.8053 0.8568 0.8189 0.8554 0.3982 0.4006 0.5271 0.0150 0.7520 0.5918 0.6923 0.2085 0.7382 0.3604 0.6440 0.7373 0.8455 0.4715 0.4033 0.4304
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 7 6 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 14.00307 12.00000 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
999.93847 2157.01100 2613.28106
0.99967 0.02378 -0.00934 -0.02383 0.99970 -0.00526 0.00921 0.00548 0.99994
1
0.08662 0.04015 0.03314
1.80485 0.83669 0.69060
120.19 191.21 276.07 371.68 423.86 438.50 572.64 585.34 642.59 727.73 757.28 815.84 851.60 902.87 960.94 1046.62 1201.79 1277.17 1299.44 1342.71 1367.21 1375.90 1429.51 1448.00 1496.96 1505.20 1567.10 1580.26 1597.72 1637.07 1679.91 1697.95 1725.61 1744.33 1762.84 1781.07 1826.95 1867.92 1906.81 1987.30 2002.59 2021.27 2066.81 2080.38 2115.73 2133.50 2149.89 2184.67 2204.76 2229.93 2241.70 2348.74 2351.06 2361.91 2379.19 2394.48 2732.37 2758.36 4515.11 4611.81 4634.71 4634.87 4643.82 4663.25 4704.57 4707.13 4718.11 4724.97 4746.47 4788.77 4816.04 5521.38
0.245396
0.254346
0.255290
0.211302
-495.425846
-495.416897
-495.415953
-495.459940
1.475331D-04
MUNgauss
RevisionA2.1
retrievium
06-Jan-2023
GDB_13 Smiles: CC1N=CNC2C3CC(C3)C=C12
RHF
6-31G(d)
(6D,10F)
C1
162.115699
|X|Y|Z|
21.953019 33.564902 15.110292
22.329766
11
|36.858105|
|12.428287|36.858105|
|7.817876|13.056011|53.358707|
|5.715186|8.112831|20.663616|36.858105|
|4.995277|6.725557|10.954979|13.841515|53.358707|
|5.739354|7.450218|9.035674|7.843409|17.838279|36.858105|
|4.068102|4.898224|6.037857|5.106913|10.451634|12.433607|36.858105|
|3.933687|4.422961|5.049589|3.905126|6.811391|7.611779|12.312427|36.858105|
|3.991397|4.895136|5.416455|4.055056|6.754696|6.895470|9.035642|12.300659|36.858105|
|3.560621|4.491728|5.538624|4.515525|8.240312|7.499852|12.331259|8.967260|12.284227|36.858105|
|5.488914|7.530880|7.160185|4.924949|7.582356|7.822179|7.061539|7.641683|12.566339|7.706503|36.858105|
|7.515754|12.606439|10.504566|7.081834|10.885760|12.560565|7.589759|6.697907|7.801840|6.708961|14.429156|36.858105|
|17.572264|8.834304|9.883871|5.172226|5.807823|4.499995|3.362181|3.221460|3.300679|3.030811|4.329921|5.500224|0.500000|
|17.550588|8.785498|7.667850|4.462355|5.676798|5.029084|3.857660|4.008503|4.089516|3.445720|5.645872|6.789168|0.299790|0.500000|
|17.548382|8.758815|9.416542|5.753349|7.196630|6.199932|4.289379|4.075274|3.856462|3.531743|4.926526|6.816174|0.301735|0.300580|0.500000|
|8.950118|17.558039|12.641778|6.178081|7.072640|5.547263|4.151191|3.913400|4.601090|4.122749|7.172673|8.992547|0.214340|0.215791|0.173883|0.500000|
|4.518246|5.714720|12.927020|17.644133|12.580147|5.664161|4.198563|3.276788|3.368585|3.817486|3.886851|5.065495|0.120822|0.101443|0.127856|0.133433|0.500000|
|4.128016|5.040355|8.168854|9.466840|26.011573|9.093112|6.917414|4.520724|4.260095|5.347389|4.444458|5.762078|0.101197|0.098044|0.124989|0.113888|0.233842|0.500000|
|6.136122|6.640194|8.056794|6.642471|12.397857|17.444737|8.902677|6.834679|5.499673|5.515672|6.107841|8.896496|0.131445|0.148588|0.209216|0.136445|0.141589|0.213689|0.500000|
|3.517218|4.044080|5.300332|4.636161|9.437359|8.767361|17.542867|8.379262|6.133287|8.384285|5.039683|5.507129|0.083192|0.091857|0.105739|0.096167|0.111708|0.202402|0.211842|0.500000|
|3.224878|3.536643|4.203223|3.274708|5.583721|5.526083|8.701833|17.567637|8.659098|7.479096|5.523592|4.870932|0.075787|0.091598|0.093017|0.089314|0.079061|0.107993|0.143730|0.208525|0.500000|
|4.351585|4.546914|5.021937|3.759889|6.258221|7.036415|8.379239|17.568001|8.405336|6.117768|7.010531|6.549275|0.096906|0.127409|0.128262|0.110118|0.087455|0.115257|0.202707|0.181379|0.298634|0.500000|
|3.430819|4.050442|4.559140|3.349876|5.308974|4.959327|6.130964|8.363671|17.600268|8.346873|8.740077|5.677598|0.081070|0.100106|0.090958|0.111082|0.079718|0.095884|0.117343|0.131631|0.206434|0.182087|0.500000|
|3.541224|4.689740|6.066539|5.028455|8.893560|6.873161|8.398115|6.121173|8.397691|17.605559|7.103474|6.567119|0.085393|0.093071|0.095503|0.122430|0.118850|0.155975|0.138196|0.181661|0.145913|0.131982|0.181685|0.500000|
|2.976453|3.577702|4.525647|3.680808|6.450964|5.479672|8.730455|7.498185|8.657898|17.559724|5.552093|4.876821|0.071958|0.080940|0.082790|0.093024|0.090303|0.124605|0.123318|0.209167|0.212313|0.146079|0.206058|0.298219|0.500000|
|5.198491|6.805662|6.462841|4.223798|6.024453|5.535797|5.061005|5.602298|8.454274|5.702718|17.681419|9.088241|0.118579|0.156682|0.123082|0.211085|0.095820|0.101249|0.130126|0.109137|0.123847|0.150476|0.213913|0.155272|0.125451|0.500000|
495.311819
-2621.809058
968.240936
-70.322293
-1228.578596
732.907352
-495.671244
2.000726
BC3565F1E7FFFFFF
4197F493FFFFFFFE
41316C0E8BA2E8B9
4102A74000000001
4030000000000000
41B462F53BFFFFFE