Version2.5
2022-12-20T22:07:51Z
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=C2N(C=C(C)CC2=C)N=C1
RHF
6-31G(d)
(6D,7F)
CC1=C2N(C=C(C)CC2=C)N=C1
C1[X(C10H12N2)]
66
C1
204
CC1=C2N(C=C(C)CC2=C)N=C1
CC1=Cn2c(C(=C)C1)c(cn2)C
CC1=Cn2ncc(C)c2C(=C)C1
InChIKey=LJCGGEIGONCNMD-UHFFFAOYSA-N
InChI=1S/C10H12N2/c1-7-4-8(2)10-9(3)5-11-12(10)6-7/h5-6H,2,4H2,1,3H3
InChI=1/C10H12N2/c1-7-4-8(2)10-9(3)5-11-12(10)6-7/h5-6H,2,4H2,1,3H3
CC1=C2N(C=C(C)CC2=C)N=C1
C01[X(C10H12N2)]
66
C1
204
CC1=C2N(C=C(C)CC2=C)N=C1
C[C@@H]1C[C@@H](C)[C@@H]2[N@@](C1)NC[C@H]2C
C[C@@H]1C[C@@H](C)[C@H]2[C@H](C)CNN2C1
InChIKey=QTTKIDHGBOWAGW-KYXWUPHJSA-N
InChI=1S/C10H20N2/c1-7-4-8(2)10-9(3)5-11-12(10)6-7/h7-11H,4-6H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChI=1/C10H20N2/c1-7-4-8(2)10-9(3)5-11-12(10)6-7/h7-11H,4-6H2,1-3H3/t7-,8-,9-,10+/m1/s1
4.940517318571D+02
-2.514068571598D+03
680.7833981123
-494.5174936
1-A
2063.0359
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|
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11.25073
1.0266 2.3051 0.2257
2.5334
|XX|YY|ZZ|XY|XZ|YZ|
-61.7813 -73.2139 -74.5899 -0.9437 0.2066 -0.0249
|XX|YY|ZZ|XY|XZ|YZ|
8.0804 -3.3522 -4.7282 -0.9437 0.2066 -0.0249
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-6.1763 17.2117 2.3371 5.6735 -6.9713 0.3968 1.7547 0.2398 -3.2618 3.3890
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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|
76.0018 96.5602 173.2896 184.1670 208.2523 229.2792 277.7966 306.9632 359.7304 378.9647 450.2529 485.7954 520.1664 557.0014 625.0058 652.4937 710.9359 729.8833 732.9426 848.1849 914.9477 961.2660 973.6300 995.2471 1015.5156 1042.4338 1066.6778 1090.6675 1129.4596 1168.4506 1174.8231 1175.2355 1219.4710 1264.2907 1315.7001 1345.7924 1404.4020 1421.4383 1491.9896 1505.4819 1527.6589 1563.8675 1574.0363 1576.5170 1586.0290 1615.9791 1624.0519 1633.8174 1639.7625 1641.2256 1657.2280 1776.5410 1869.6537 1923.9783 3164.3454 3190.3029 3197.2935 3235.7606 3246.3920 3250.9598 3274.8684 3280.1132 3346.2286 3424.0883 3431.0640 3432.4925
2.8759 2.4911 1.0856 2.4251 1.4724 2.3910 3.1594 2.5895 3.3992 2.8474 2.9144 4.5068 3.2741 3.5972 5.2747 3.5294 3.1354 5.1368 2.0178 1.9164 4.6351 1.7325 2.1812 1.3121 2.1152 1.4475 1.5441 1.6067 1.4657 1.4511 1.5174 4.5834 3.1103 1.9699 1.5806 1.2267 2.7305 1.8886 2.1083 2.8940 3.0794 3.3999 1.4083 1.4562 1.6653 1.1134 1.0513 1.0471 1.0828 1.4001 1.8901 7.3923 5.2003 6.9310 1.0722 1.0391 1.0403 1.1016 1.0910 1.0982 1.1030 1.1008 1.0642 1.0976 1.1150 1.0958
0.0098 0.0137 0.0192 0.0485 0.0376 0.0741 0.1437 0.1438 0.2592 0.2409 0.3481 0.6267 0.5220 0.6576 1.2140 0.8853 0.9337 1.6123 0.6387 0.8123 2.2861 0.9432 1.2182 0.7657 1.2852 0.9268 1.0351 1.1261 1.1016 1.1672 1.2340 3.7299 2.7252 1.8552 1.6121 1.3091 3.1731 2.2482 2.7652 3.8645 4.2342 4.8991 2.0558 2.1324 2.4682 1.7131 1.6337 1.6468 1.7154 2.2220 3.0585 13.7461 10.7103 15.1164 6.3258 6.2311 6.2658 6.7953 6.7744 6.8384 6.9698 6.9781 7.0210 7.5818 7.7333 7.6067
0.8575 0.7447 0.1942 0.1355 0.4218 0.4380 0.5299 0.5810 0.5280 2.3346 5.1124 1.3457 7.1031 2.3790 1.4299 0.9804 3.5939 3.8991 6.3755 4.7605 47.3324 2.4623 11.5321 8.3221 1.1624 40.2931 13.8979 15.1247 1.9192 1.5299 0.8744 14.3938 5.1037 1.1835 22.1088 3.8246 48.4363 21.0459 44.7527 5.3590 66.9540 144.2559 13.4529 0.7965 3.2055 3.2909 6.8814 5.4454 14.6770 16.1864 7.4358 2.9997 14.3721 38.9069 26.5787 61.3255 37.7270 31.4358 30.3343 32.6542 25.8891 29.8968 9.2721 18.1442 9.6987 10.3907
1.4631 1.6594 0.7168 0.9051 1.6647 0.7418 1.1344 2.0238 1.1091 3.8431 4.8566 3.2140 4.8405 7.7069 10.9738 4.2127 7.3681 0.6107 3.7514 6.6327 5.1999 10.6971 3.4039 2.7628 1.6164 1.8611 4.1920 2.2950 9.9447 2.4666 1.2119 0.9826 8.0198 7.1273 5.5130 8.7461 30.3814 1.3697 25.1413 4.3930 26.1931 108.1101 6.3260 18.0033 9.3640 10.9176 17.5759 24.2191 46.7021 40.6812 63.7519 30.3477 126.8049 155.9589 98.7160 203.1501 137.9834 99.0053 87.5428 65.8594 72.1145 78.6546 87.8404 135.0301 56.4956 77.7707
0.7219 0.7117 0.5751 0.7473 0.6794 0.3676 0.6186 0.6663 0.6968 0.7418 0.6905 0.3752 0.6942 0.6754 0.1241 0.4535 0.1200 0.3226 0.4529 0.6818 0.3950 0.7221 0.3995 0.7270 0.7139 0.3062 0.6589 0.7045 0.4744 0.7070 0.7141 0.5349 0.4878 0.3362 0.7484 0.5049 0.6583 0.5228 0.1920 0.4447 0.4351 0.7497 0.3290 0.6552 0.4497 0.7408 0.7492 0.6997 0.4621 0.0689 0.3257 0.1969 0.1831 0.3185 0.2503 0.0516 0.0455 0.7493 0.4400 0.6739 0.6853 0.7309 0.1412 0.2892 0.7410 0.3118
0.8385 0.8316 0.7303 0.8554 0.8091 0.5376 0.7644 0.7997 0.8213 0.8517 0.8169 0.5456 0.8195 0.8063 0.2207 0.6240 0.2143 0.4878 0.6234 0.8108 0.5663 0.8386 0.5709 0.8419 0.8331 0.4688 0.7944 0.8266 0.6435 0.8284 0.8332 0.6970 0.6557 0.5032 0.8561 0.6710 0.7939 0.6867 0.3221 0.6156 0.6064 0.8569 0.4951 0.7917 0.6204 0.8511 0.8566 0.8233 0.6321 0.1288 0.4914 0.3290 0.3095 0.4831 0.4004 0.0981 0.0870 0.8567 0.6111 0.8052 0.8133 0.8445 0.2475 0.4487 0.8513 0.4754
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 7 6 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 14.00307 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
1069.45047 2241.03834 3229.33401
0.99977 -0.02141 0.00018 0.02141 0.99977 -0.00042 -0.00017 0.00042 1.00000
1
0.08099 0.03865 0.02682
1.68754 0.80531 0.55886
109.35 138.93 249.33 264.98 299.63 329.88 399.69 441.65 517.57 545.25 647.81 698.95 748.40 801.40 899.24 938.79 1022.88 1050.14 1054.54 1220.35 1316.41 1383.05 1400.84 1431.94 1461.10 1499.83 1534.71 1569.23 1625.04 1681.14 1690.31 1690.90 1754.55 1819.03 1893.00 1936.30 2020.62 2045.13 2146.64 2166.05 2197.96 2250.06 2264.69 2268.26 2281.94 2325.03 2336.65 2350.70 2359.25 2361.36 2384.38 2556.05 2690.01 2768.18 4552.79 4590.13 4600.19 4655.54 4670.83 4677.41 4711.81 4719.35 4814.48 4926.50 4936.54 4938.59
0.216346
0.226527
0.227471
0.180718
-494.301148
-494.290967
-494.290023
-494.336776
1.568103D-04
MUNgauss
RevisionA2.1
retrievium
20-Dec-2022
GDB_13 Smiles: CC1=C2N(C=C(C)CC2=C)N=C1
RHF
6-31G(d)
(6D,10F)
C1
160.100048
|X|Y|Z|
25.299339 36.552578 9.320538
20.503251
9
|36.858105|
|12.695657|36.858105|
|7.321635|13.877154|36.858105|
|5.207541|8.723965|14.089662|53.358707|
|3.831210|5.379062|7.806049|18.522113|36.858105|
|3.501962|4.558185|6.669102|10.965313|14.439306|36.858105|
|2.746071|3.355029|4.372157|6.884417|7.694611|12.677909|36.858105|
|3.971392|4.945251|7.556441|9.282299|7.756825|12.562085|7.376898|36.858105|
|5.620501|7.227340|12.939942|10.723714|6.701315|7.490693|4.894002|12.536289|36.858105|
|5.588132|5.942975|7.752143|7.177095|4.632273|5.126277|3.875710|7.648955|14.396093|36.858105|
|5.148558|8.432005|8.534149|19.531068|7.975436|5.325033|3.920123|4.639924|5.305003|4.084674|53.358707|
|7.305540|13.474182|8.715010|12.437716|5.552916|4.295647|3.258241|4.170513|5.213053|4.267937|19.904203|36.858105|
|17.527943|8.824246|6.164756|6.216380|3.506532|3.251360|2.599725|3.670095|5.162645|5.562302|6.086971|5.932976|0.500000|
|17.567331|8.924318|5.557307|6.067109|3.373092|3.046499|2.456677|3.331581|4.346461|4.252019|6.476575|6.921821|0.302472|0.500000|
|17.560577|8.862665|6.649651|6.364233|3.618506|3.460814|2.735548|4.132540|5.845953|6.162074|5.957659|5.601922|0.301874|0.302027|0.500000|
|3.323621|4.487112|5.708848|12.466800|17.783110|8.961628|6.870468|5.489692|4.888891|3.701196|10.152548|5.015824|0.085544|0.084021|0.086243|0.500000|
|2.550417|3.121377|3.910967|6.466257|7.292242|8.853511|17.578091|5.431118|4.072613|3.295275|5.303291|3.161434|0.067184|0.064462|0.069499|0.214924|0.500000|
|2.594330|3.088267|3.954041|5.907493|5.981576|8.870158|17.523963|6.595019|4.605942|3.855474|4.679350|2.948803|0.069675|0.064213|0.071916|0.150458|0.301081|0.500000|
|2.581879|3.078230|3.906028|5.903549|5.960891|8.880103|17.515981|6.729198|4.428559|3.604239|4.725665|2.966044|0.067317|0.064722|0.072801|0.149547|0.301187|0.302519|0.500000|
|3.780660|4.547799|6.360066|7.895885|6.341290|8.965619|6.404758|17.463161|8.894166|6.313853|5.771976|3.886737|0.094540|0.090100|0.112988|0.133534|0.136131|0.152725|0.186780|0.500000|
|3.453052|4.043517|5.600765|6.920184|5.807391|8.880958|7.052454|17.564817|8.907373|7.272821|5.110643|3.452424|0.091828|0.081322|0.100512|0.125503|0.141439|0.202962|0.182497|0.304033|0.500000|
|4.318373|4.458897|5.538571|5.782817|4.017071|4.676700|3.788864|7.021843|9.104706|17.712472|4.608585|3.454601|0.120997|0.096701|0.133400|0.091549|0.088282|0.108302|0.100030|0.167190|0.218607|0.500000|
|6.819851|6.344421|7.008464|6.486966|4.001839|4.152027|3.246033|5.468710|9.059841|17.751403|5.375669|4.377791|0.205590|0.137201|0.209618|0.092103|0.079349|0.089598|0.084044|0.133060|0.143744|0.289489|0.500000|
|6.374446|8.524861|5.890793|8.351379|4.339403|3.486831|2.784723|3.381303|4.061619|3.521766|12.587216|17.770287|0.149283|0.193081|0.136413|0.114875|0.076240|0.070764|0.071366|0.089328|0.080323|0.081713|0.102406|0.500000|
494.052127
-2514.070056
914.226819
-69.509834
-1175.300944
680.783447
-494.517497
2.000942
403800000000000D
41A0A13427FFFFFA
4138C04DA0BE82F1
40AD240000000001
BFF0000000000000
4163F30260000001