NIST 08061409233D 1 1.00000 -2001.30001 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 48 47 0 0 0 0 0 0 0 0999 V2000 -5.1321 2.0099 1.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9886 1.1861 1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7031 1.4372 1.7875 Si 0 0 0 0 0 0 0 0 0 0 0 0 -7.7525 2.9851 1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2201 0.4637 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8349 0.3407 3.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 2.0923 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2438 1.0773 1.1849 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 2.4443 1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 1.9255 1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 0.9264 -0.2717 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 0.6770 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3111 -0.1357 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -0.2989 -0.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -1.0937 -1.6150 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.3036 -2.8922 -1.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4114 -0.9963 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0004 -0.2199 -3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 0.4841 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0642 0.5944 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8137 2.7350 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4431 3.5620 2.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6589 3.6369 1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2591 0.1217 0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5972 -0.4254 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1486 1.0820 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5465 0.8888 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8648 -0.0112 3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1953 -0.5472 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 2.7785 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 2.6846 2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1601 3.0354 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 3.0965 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 2.7853 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 1.3213 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 1.6468 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 0.1450 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 -1.1117 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2049 0.3901 -1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0586 -3.4261 -2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 -2.9778 -2.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1957 -3.4202 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -1.4889 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7026 0.0451 -0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 -1.4830 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 0.8262 -3.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7692 -0.7085 -3.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -0.2278 -3.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 2 7 1 0 3 4 1 0 3 5 1 0 3 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 2 19 1 0 2 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 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. > 2014-08-06 > U289593 > B3LYP/6-31G* > 0.6406 debye > -2001.30000844 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 9.9822 0.3450 16.7185 0.5730 21.0316 0.6289 22.7747 0.5878 32.3069 0.3140 40.7168 0.3439 48.3027 0.0101 51.1113 0.4884 63.6089 0.4628 71.8886 0.4519 80.6791 0.0212 95.8916 0.1690 116.1889 3.6892 122.7092 1.0502 125.5615 1.2134 129.1450 1.0304 133.7184 0.7815 145.3882 0.1038 149.1151 0.1876 151.0949 0.0368 158.1121 0.0412 172.1745 0.0937 179.4642 1.2138 190.1148 0.3620 191.8823 0.2765 201.6779 1.4650 203.0076 0.9024 237.0562 0.0314 255.5145 1.2500 262.8935 11.2312 281.8694 15.1597 283.8005 15.0079 303.2092 0.5120 338.4349 4.7587 359.8024 4.5449 361.7695 5.1790 445.6603 0.8186 595.1582 0.0625 595.5331 0.5005 671.1731 2.7335 684.7661 8.7669 685.6612 8.9039 695.5311 5.4884 697.3910 4.0322 698.9996 0.8937 699.4460 7.8601 700.6632 0.0784 727.2867 9.0374 727.8736 8.5327 775.5927 26.4250 776.3851 27.3387 789.2991 24.6976 790.0220 24.6014 809.4769 0.2798 811.9143 0.2618 819.5384 17.5924 821.4791 4.8849 885.6344 96.5910 886.0312 111.8834 887.7375 110.4994 889.6118 108.6853 900.1299 87.8293 919.8605 296.5412 920.2278 242.1375 960.7444 2.5774 1033.1006 0.4050 1038.7303 5.3186 1044.5578 2.0633 1069.0302 4.3694 1070.6997 8.3734 1120.4698 959.5083 1124.5685 36.0337 1153.1776 1.4641 1217.9460 1.3100 1227.0748 1.8072 1227.6043 0.3406 1272.9963 51.6095 1280.3687 0.6736 1328.3667 19.9290 1329.6240 18.6923 1330.7070 40.7103 1331.1004 38.7040 1332.5746 55.6645 1333.5341 13.8687 1335.5526 16.6362 1339.4553 19.9171 1340.8342 21.5860 1351.5497 12.2833 1440.7358 27.7320 1442.3609 17.8299 1485.9445 0.2303 1486.7340 0.3157 1490.9150 0.1482 1491.2477 0.1267 1491.4122 0.1272 1492.0063 0.1005 1498.0907 1.7389 1498.6791 1.6606 1500.1200 3.9572 1501.1178 4.1903 1504.5944 27.2486 1508.8332 9.1363 1509.0808 3.2174 1509.3616 7.9190 1519.5610 6.5889 1520.2471 3.4707 1551.3889 4.9240 1551.8498 4.5677 3011.6661 26.1172 3012.5491 25.8386 3040.2887 1.0901 3040.6477 1.2589 3042.2426 4.6991 3042.6236 4.5721 3046.8302 3.7292 3047.2153 3.7130 3048.1912 29.3845 3048.9002 30.0145 3050.0853 9.0862 3057.6549 42.5575 3061.7534 25.1492 3061.9877 24.2553 3098.3432 6.8266 3109.4841 18.5337 3109.7073 18.1267 3110.1034 4.2246 3112.0715 30.8602 3112.5835 26.7406 3116.0285 8.4953 3116.8032 13.5187 3117.2250 15.1267 3117.6641 16.2603 3117.9167 5.9193 3118.1249 5.8470 3119.4432 29.3551 3119.7580 29.0922 3125.7445 14.8089 3126.0519 14.8206 > 0.92659 GHz 0.04884 GHz 0.04805 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$