NIST 07141511273D 1 1.00000 -1764.38431 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 45 45 0 0 0 0 0 0 0 0999 V2000 1.4168 -0.0049 -0.0229 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1514 0.3435 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 -0.7923 0.9533 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -1.8021 0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7366 -1.3071 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 -0.8706 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6237 1.8199 0.1298 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 -2.9952 1.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -4.4181 0.7567 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 -4.0240 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5845 -5.5626 2.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -5.1202 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 -1.9159 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 -0.9415 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2564 0.1583 -0.0607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1456 -1.3436 1.4012 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3315 -2.7776 2.4589 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.5864 -4.3355 1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -2.3937 3.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8449 -2.9564 3.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 0.6482 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -1.6646 2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 0.0916 2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4381 -1.0758 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 -3.2333 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9484 -4.9117 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -3.6985 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 -5.7247 2.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 -6.5417 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 -5.1457 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9351 -6.0613 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -4.4340 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 -5.3332 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -2.1470 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1442 -2.8595 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 -0.6024 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7883 -5.1944 2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7152 -4.5911 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4437 -4.2207 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1158 -3.2109 4.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 -1.4801 4.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 -2.2681 2.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 -2.0739 4.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8974 -3.0780 3.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -3.8298 4.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 13 1 0 0 0 0 6 22 1 0 0 0 0 6 3 1 0 0 0 0 6 23 1 0 0 0 0 7 2 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 9 1 0 0 0 0 13 35 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 14 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 19 1 0 0 0 0 18 37 1 0 0 0 0 18 17 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 45 1 0 0 0 0 20 43 1 0 0 0 0 24 6 1 0 0 0 0 25 10 1 0 0 0 0 32 12 1 0 0 0 0 33 12 1 0 0 0 0 34 13 1 0 0 0 0 38 18 1 0 0 0 0 39 18 1 0 0 0 0 42 19 1 0 0 0 0 44 20 1 0 0 0 0 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2015-07-14 > R525387 > B3LYP/6-31G* > 10.5052 debye > -1764.38431442 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 20.5341 0.8068 28.8391 0.0817 31.9158 0.5452 45.7122 0.1424 55.5742 1.0792 63.4953 0.6301 81.1649 0.4465 94.6771 0.5056 100.6117 0.5787 111.8643 0.8292 130.5634 1.8015 139.7476 0.0754 141.0268 0.1051 154.4914 0.3619 160.0120 0.0421 162.4183 1.2423 169.2288 0.0817 172.5916 0.2160 179.3130 0.0926 192.2813 0.2386 196.6719 0.4990 204.4950 0.7923 219.2270 0.9026 222.1276 2.9241 225.0406 1.0517 234.6997 3.8897 256.2206 1.3463 259.4356 6.2693 267.4046 3.3091 277.9425 3.9723 284.6333 7.2255 332.6606 17.9935 370.5413 7.1425 439.0052 36.2561 468.9600 20.7330 478.5943 10.1113 528.9884 8.1503 570.9821 10.9240 597.6796 10.5203 617.4517 27.0733 632.2662 35.0103 642.0634 7.9451 650.0631 34.8089 686.8263 15.0060 692.3919 0.9638 692.8410 5.7135 699.6417 9.6021 704.6291 14.2125 705.6026 13.9890 706.2958 1.7553 712.7085 0.5460 725.4082 43.0931 781.7969 22.4014 788.0297 13.6556 792.7095 12.6750 793.7690 24.7644 820.4920 8.9123 831.1424 33.4149 885.9880 9.5924 887.9474 157.3800 889.6676 18.5579 892.5150 77.3897 895.4242 84.2835 897.3080 193.6616 922.8262 473.8366 947.0838 75.7138 964.5648 7.2951 1057.6269 34.3416 1152.0469 56.1081 1166.4569 2.2870 1182.8330 82.0728 1227.7334 6.5860 1251.9365 87.4879 1314.8640 147.9269 1331.7370 23.3002 1335.4424 38.6184 1336.8163 45.9142 1339.2501 44.9772 1343.0300 20.1959 1345.8358 8.6794 1349.6775 32.6084 1382.0639 328.9802 1392.2857 129.4999 1414.0076 173.1234 1428.2045 122.3467 1472.4184 103.5204 1483.4205 2.3095 1484.7801 0.2417 1486.9903 0.0737 1488.6880 2.3861 1489.9998 0.0863 1492.2010 0.2476 1495.8080 7.8331 1497.7098 2.1535 1498.5738 4.1638 1500.3956 7.8508 1503.5473 28.8849 1508.0456 3.6595 1509.8347 93.3727 1510.6232 11.4348 1517.3391 67.2477 1542.5252 84.2712 1717.8026 185.1794 1765.2689 340.2645 3022.2145 24.3338 3044.0364 4.8103 3044.5843 2.7440 3045.4811 2.9796 3047.1930 3.4312 3047.8783 1.4920 3050.3640 1.9441 3067.9078 37.5464 3113.6180 5.6671 3114.1290 11.1494 3115.5900 12.7662 3117.9710 12.5189 3119.8843 17.9022 3121.4367 10.0510 3122.7527 19.9393 3123.8317 17.0875 3125.2114 11.1474 3127.3403 6.7267 3128.0757 4.7764 3129.0061 15.1496 3139.0292 10.7271 3147.1752 11.6975 3175.4819 2.6121 3523.2214 21.1164 3618.1796 159.8142 > 0.29124 GHz 0.18361 GHz 0.12951 GHz > Gaussian 09, Revision D.01 > Sarah Wollman $$$$