Version2.5
2022-04-09T22:47:13Z
10.1021/ja902302h
Gaussian16
RevisionB.01
DOC1ROB
23-Feb-2022
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
GDB_13 Smiles: C1C2CN3CC(C3)N=CN=CN12
RHF
6-31G(d)
(6D,7F)
C1C2CN3CC(C3)N=CN=CN12
C1[X(C8H12N4)]
66
C1
204
C1C2CN3CC(C3)N=CN=CN12
N1=CN2CC2CN2CC(N=C1)C2
C1C2CN1CC3CN3C=NC=N2
InChIKey=RJQSZYGRLXTQNT-UHFFFAOYSA-N
InChI=1S/C8H12N4/c1-7-2-11(1)3-8-4-12(8)6-9-5-10-7/h5-8H,1-4H2
InChI=1/C8H12N4/c1-7-2-11(1)3-8-4-12(8)6-9-5-10-7/h5-8H,1-4H2
C1C2CN3CC(C3)N=CN=CN12
C01[X(C8H12N4)]
66
C1
204
C1C2CN3CC(C3)N=CN=CN12
C1NC[N@]2C[C@H]2C[N@]2C[C@@H](N1)C2
C1NCN2C[C@H]2CN3CC(C3)N1
InChIKey=GQPMDUFCBMIPBL-PRHODGIISA-N
InChI=1S/C8H16N4/c1-7-2-11(1)3-8-4-12(8)6-9-5-10-7/h7-10H,1-6H2/t8-,12-/m1/s1
InChI=1/C8H16N4/c1-7-2-11(1)3-8-4-12(8)6-9-5-10-7/h7-10H,1-6H2/t8-,12-/m1/s1
5.270663739895D+02
-2.710751599374D+03
739.4693955218
-527.5647541
1-A
1739.9808
44
160
204
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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|
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13.56858
-1.0239 -2.3445 1.0768
2.7757
|XX|YY|ZZ|XY|XZ|YZ|
-64.6833 -79.6896 -70.5417 6.9571 3.1865 5.0921
|XX|YY|ZZ|XY|XZ|YZ|
6.9549 -8.0514 1.0965 6.9571 3.1865 5.0921
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-8.3798 -14.9532 1.7806 -5.3871 -1.9965 -7.4965 1.4798 -5.5459 9.0030 2.7330
|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|
94.3549 168.6883 187.6495 240.8782 284.7635 304.1766 348.0696 385.0175 451.2341 474.5855 499.4000 528.2797 574.9180 680.3554 705.6079 823.0913 868.8069 894.5895 927.3995 984.1570 992.3862 1065.1561 1072.3028 1091.1615 1109.2884 1121.5548 1128.6561 1157.2375 1172.2662 1192.2191 1211.3097 1229.0871 1244.0551 1259.4979 1273.4024 1300.2938 1313.6019 1363.9741 1396.5735 1409.8346 1421.9943 1460.9344 1481.9608 1494.8923 1508.6906 1528.3526 1566.6323 1594.0237 1644.9262 1661.6784 1676.9233 1677.9389 1883.5987 1929.9449 3204.3540 3232.3013 3232.7783 3247.5025 3249.8277 3256.3164 3281.1396 3301.7604 3310.2814 3333.9781 3349.9215 3368.7008
4.0647 2.9741 3.5648 4.2303 2.9391 3.2671 3.5736 3.0207 4.0135 3.1283 2.9252 2.2411 2.6286 4.5505 4.8756 3.0654 3.6043 1.8557 2.2669 3.8642 2.9953 2.2858 2.3774 1.6441 2.0845 1.8137 3.1448 1.7598 2.1306 1.8192 1.8966 1.8571 1.5463 1.5474 1.5753 1.7327 1.4292 1.7799 1.4831 1.3668 1.3546 1.3723 1.4584 1.7950 1.5819 1.2360 1.4272 1.5893 1.0952 1.0866 1.3534 1.1444 9.4941 8.2395 1.0647 1.0657 1.0742 1.0971 1.0883 1.0856 1.0544 1.1077 1.0978 1.0906 1.0920 1.1178
0.0213 0.0499 0.0740 0.1446 0.1404 0.1781 0.2551 0.2638 0.4815 0.4151 0.4298 0.3685 0.5119 1.2410 1.4302 1.2236 1.6030 0.8750 1.1487 2.2052 1.7380 1.5280 1.6106 1.1533 1.5113 1.3441 2.3603 1.3886 1.7251 1.5235 1.6396 1.6530 1.4100 1.4462 1.5051 1.7261 1.4530 1.9510 1.7043 1.6006 1.6139 1.7256 1.8871 2.3634 2.1215 1.7010 2.0638 2.3793 1.7460 1.7677 2.2424 1.8984 19.8463 18.0817 6.4409 6.5600 6.6141 6.8172 6.7722 6.7824 6.6884 7.1150 7.0874 7.1424 7.2198 7.4738
6.2133 5.2780 0.9475 4.8381 9.9534 14.7565 3.3089 2.4733 2.1356 2.9848 6.2389 13.9468 1.5165 8.5335 41.3498 13.1708 5.8791 0.8039 3.9440 4.9759 2.4944 25.3085 19.9476 2.3399 6.9638 2.8269 14.6952 2.3835 57.3719 32.2606 31.3614 30.5700 10.6621 19.2105 14.5954 49.9837 10.9441 0.9010 10.5117 8.5243 17.8647 4.6485 37.7789 73.8534 79.7845 8.7140 20.8319 33.0855 0.7753 8.8297 44.2002 3.7561 485.0238 249.6104 57.5610 46.1161 34.8477 21.6811 31.8221 142.1060 30.5378 33.7240 34.1959 16.9250 37.4718 32.2113
5.1682 0.2635 0.9381 0.8191 3.6118 1.0597 2.8017 0.2665 6.0655 1.4824 1.3302 0.7441 2.4498 2.1870 8.0856 5.0480 4.2828 4.0331 6.7017 5.3318 3.2381 7.0167 5.6050 2.8379 3.7168 7.6750 2.7871 5.0718 11.1469 7.4524 4.1183 0.8236 0.6221 15.0121 7.0146 4.9972 3.6683 7.1864 8.7709 1.6605 2.2546 1.8058 4.0659 3.5626 9.2760 8.9407 6.4974 6.6277 10.2084 4.8783 5.2242 9.3000 49.3025 27.4736 100.2589 55.7978 84.9684 46.5084 74.7115 291.9616 111.2167 68.9250 36.5597 57.5281 135.1281 100.4046
0.7450 0.5075 0.7327 0.7498 0.7449 0.5827 0.2859 0.3103 0.1374 0.3322 0.5852 0.5780 0.5939 0.6810 0.4882 0.5067 0.7375 0.6163 0.4375 0.0956 0.3170 0.7134 0.6954 0.5867 0.4138 0.6712 0.6868 0.2276 0.2165 0.6976 0.3020 0.0714 0.1849 0.7417 0.3893 0.5919 0.4611 0.6623 0.6941 0.4266 0.4958 0.5036 0.3703 0.6551 0.5017 0.2163 0.6563 0.3383 0.7436 0.7469 0.6298 0.7389 0.1664 0.3085 0.2920 0.5446 0.6381 0.5989 0.4310 0.0862 0.1135 0.7350 0.6795 0.2681 0.2613 0.5629
0.8538 0.6733 0.8457 0.8570 0.8538 0.7363 0.4447 0.4736 0.2415 0.4987 0.7383 0.7326 0.7452 0.8102 0.6561 0.6726 0.8489 0.7626 0.6087 0.1746 0.4814 0.8327 0.8203 0.7395 0.5854 0.8033 0.8143 0.3708 0.3560 0.8219 0.4639 0.1334 0.3121 0.8517 0.5604 0.7436 0.6312 0.7968 0.8194 0.5980 0.6629 0.6698 0.5405 0.7916 0.6682 0.3557 0.7925 0.5055 0.8530 0.8551 0.7729 0.8499 0.2853 0.4716 0.4520 0.7052 0.7791 0.7492 0.6024 0.1588 0.2039 0.8473 0.8091 0.4228 0.4143 0.7204
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 7 6 7 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 14.00307 12.00000 14.00307 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
1128.81612 1873.32341 2607.11945
0.99954 0.02943 0.00750 -0.02957 0.99937 0.01946 -0.00692 -0.01967 0.99978
1
0.07673 0.04624 0.03322
1.59879 0.96339 0.69224
135.76 242.70 269.99 346.57 409.71 437.64 500.79 553.95 649.23 682.82 718.53 760.08 827.18 978.88 1015.21 1184.24 1250.02 1287.11 1334.32 1415.98 1427.82 1532.52 1542.80 1569.94 1596.02 1613.67 1623.88 1665.01 1686.63 1715.34 1742.80 1768.38 1789.92 1812.14 1832.14 1870.83 1889.98 1962.45 2009.36 2028.44 2045.93 2101.96 2132.21 2150.82 2170.67 2198.96 2254.03 2293.44 2366.68 2390.78 2412.72 2414.18 2710.08 2776.76 4610.35 4650.56 4651.25 4672.43 4675.78 4685.11 4720.83 4750.50 4762.76 4796.85 4819.79 4846.81
0.219687
0.228526
0.229470
0.185726
-527.345068
-527.336229
-527.335284
-527.379028
1.467181D-04
MUNgauss
RevisionA2.1
retrievium
09-Apr-2022
GDB_13 Smiles: C1C2CN3CC(C3)N=CN=CN12
RHF
6-31G(d)
(6D,10F)
C1
164.106196
|X|Y|Z|
23.800561 31.448022 13.583873
21.663803
12
|36.858105|
|12.833446|36.858105|
|7.312682|12.541366|36.858105|
|4.882623|7.536419|12.940799|53.358707|
|4.318136|6.438689|7.483435|17.514970|36.858105|
|3.799454|5.096260|6.324562|12.106454|12.335416|36.858105|
|3.838321|5.128880|7.712529|17.448259|9.284642|12.373773|36.858105|
|4.319905|5.520789|6.437040|9.235672|7.680056|13.104479|7.948184|53.358707|
|4.775858|5.965907|5.801338|7.664916|6.814287|8.200740|5.563048|20.799204|36.858105|
|5.263854|5.655862|5.093633|6.017219|4.758918|5.276070|4.269497|11.254770|13.677805|53.358707|
|7.620326|7.218027|5.656237|6.061002|4.515881|4.531587|3.986647|8.464646|8.518904|20.644669|36.858105|
|13.316689|13.101585|7.194461|7.131066|5.148123|4.569432|4.200574|7.566058|6.963351|10.860526|13.762258|53.358707|
|17.648065|8.677926|6.885533|6.151326|3.846403|3.583125|3.750633|5.649192|4.382147|6.768879|6.904333|12.058247|0.500000|
|17.691094|8.525531|5.443115|5.514825|3.708053|3.219198|3.233781|4.814357|3.924714|5.832850|5.843027|12.095675|0.291641|0.500000|
|8.735027|17.689696|8.702049|9.603987|6.658771|4.746870|4.676002|6.449396|5.164183|6.390709|5.611661|12.318244|0.171870|0.211315|0.500000|
|6.698205|9.053787|17.535861|12.548555|5.630409|4.848346|6.235803|6.514644|4.369235|5.501708|4.540600|7.712425|0.187545|0.147551|0.201043|0.500000|
|6.747319|8.948673|17.569087|12.170173|6.212053|6.367462|7.614907|10.233089|6.364222|7.974164|6.317623|9.462475|0.198474|0.137074|0.174051|0.302998|0.500000|
|4.804330|7.368888|6.873526|11.822756|17.637930|8.351767|6.299463|9.432803|7.450133|7.143333|5.121323|8.371940|0.112906|0.115888|0.229834|0.144351|0.158187|0.500000|
|3.585524|4.970989|5.606305|12.373407|17.561943|8.671120|7.520606|7.588710|5.052292|5.150896|3.615405|5.544748|0.089711|0.089031|0.150677|0.130547|0.131551|0.301917|0.500000|
|3.146453|3.986666|4.657432|8.362052|8.330190|17.558480|8.386654|12.193030|6.527587|6.101558|3.788209|5.067251|0.083043|0.076243|0.106413|0.106323|0.131064|0.177993|0.207589|0.500000|
|3.230166|4.146846|5.712023|12.229529|7.424153|8.624197|17.566207|7.748618|4.348935|4.714560|3.260951|4.689320|0.087706|0.078152|0.110269|0.142347|0.151239|0.145464|0.203936|0.207734|0.500000|
|3.812965|4.787448|7.334204|11.873749|6.353976|8.504551|17.609112|10.215373|5.195894|5.818379|4.000480|5.527250|0.108404|0.088232|0.115841|0.173541|0.237504|0.137442|0.146984|0.180548|0.298438|0.500000|
|4.442767|5.635726|5.099382|7.155156|7.182901|7.357453|4.918232|12.584607|17.556441|12.410837|6.973501|8.806522|0.108676|0.106021|0.148428|0.110035|0.141928|0.251029|0.152576|0.174893|0.112462|0.121360|0.500000|
|6.917731|5.638869|4.566724|4.949858|3.607583|3.634909|3.320312|6.437854|5.894770|12.929554|17.666849|12.650678|0.188844|0.158720|0.127434|0.109064|0.141416|0.111055|0.083579|0.087404|0.077666|0.094423|0.142092|0.500000|
527.066627
-2710.752339
989.052088
-72.400580
-1267.034204
739.469449
-527.564755
2.000945
4061FFFFFFFFFFFB
41AA9342DFFFFFF7
414353D38BA2E8B4
410BB00000000001
4030000000000000
41E4F6ACA6800000