NIST 07281416433D 1 1.00000 -911.74038 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 39 38 0 0 0 0 0 0 0 0999 V2000 -2.7416 3.9936 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 3.7225 0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 2.6490 1.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3354 4.4714 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 1.3891 1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8472 0.4545 2.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 -0.9376 2.4484 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -2.0615 1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 -2.0690 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 -0.5220 2.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4122 -1.6963 4.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 -3.4638 -3.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -3.5297 -2.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3585 -3.4010 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 -3.7409 -2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7726 4.7594 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6706 3.4631 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 3.0349 2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 2.3482 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4628 5.2365 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 4.9654 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 3.7998 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3024 0.9570 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 1.6419 0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 -1.2408 -0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1543 -1.9367 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -1.4283 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 0.1517 3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 -0.0306 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 -0.9959 4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 -1.9657 4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 -2.6055 4.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -3.5515 -4.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -3.3250 -2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 -4.2088 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 -3.4948 -0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6798 -3.8435 -3.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1149 -2.9090 -2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8722 -4.6466 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 10 1 0 7 11 1 0 8 9 1 0 9 14 1 0 12 13 2 0 13 14 1 0 13 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 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. > 2014-07-28 > U334088 > B3LYP/6-31G* > 2.0554 debye > -911.740381971 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.1678 0.1217 17.7256 0.0410 24.9700 0.1375 30.8635 0.4822 47.1147 0.1240 59.4550 0.0479 69.0216 0.2728 79.8665 0.5995 101.4575 0.7392 115.6883 1.7616 122.0191 0.0744 151.5423 0.3569 163.5604 0.0136 178.5952 0.2898 180.8491 0.0803 191.4111 0.3824 202.5064 2.4553 217.1246 6.9333 229.0479 4.2365 275.7492 0.2079 325.8222 1.3690 347.2225 16.0668 378.8455 16.8119 398.7971 1.3793 401.4462 3.7976 457.8076 1.8416 462.3539 6.5097 526.8437 7.5345 529.3448 21.0362 630.8548 3.9966 698.9857 3.9975 724.8495 2.5873 726.2122 2.0831 765.4983 22.0252 772.4319 7.1472 780.5368 0.9318 804.3083 1.2037 805.7501 4.0121 821.8040 109.2947 857.1080 24.6325 860.3536 8.3217 894.9424 142.0846 913.4827 204.8221 928.5643 67.1256 929.6520 47.3081 996.6932 2.6692 997.7497 2.5169 1010.4144 4.8633 1011.5857 4.0613 1053.4916 2.1413 1056.8797 2.1292 1088.4050 21.9654 1089.5051 19.2091 1112.5451 132.1587 1115.6592 32.4920 1116.0337 259.7956 1138.8082 420.7053 1240.2728 0.3523 1241.2116 1.7488 1305.5562 1.9049 1307.0043 1.3844 1330.8249 0.9518 1333.7687 38.5819 1334.2713 5.1293 1338.2791 37.0474 1340.1181 0.0501 1344.4531 6.1764 1434.6235 12.4027 1439.2799 8.6958 1443.0992 12.2801 1445.7512 21.0275 1472.2171 0.1748 1473.1657 0.1907 1490.6459 1.4142 1491.7400 0.2418 1498.6487 1.5124 1504.7206 9.9134 1507.5979 2.9473 1509.2060 1.8579 1517.0109 8.0403 1518.9700 12.8671 1528.4376 5.9747 1529.7283 6.3532 1547.7086 3.8738 1551.6387 2.8605 1735.6255 1.9874 1735.7276 22.5455 3007.5974 9.7562 3012.9735 48.6897 3032.5339 18.0284 3033.1289 31.4311 3036.1812 2.3070 3037.1930 16.6722 3045.7984 6.9388 3047.7251 36.8530 3052.6256 67.8019 3055.2997 3.7574 3079.0835 27.9604 3079.9304 25.2842 3101.1147 22.2474 3102.0481 38.0748 3117.6703 18.4870 3118.2707 13.1182 3125.7347 23.8031 3126.4219 26.3491 3129.5502 16.4968 3134.6141 9.2276 3156.7324 9.7021 3157.2951 10.6821 3233.0054 19.4407 3233.4936 22.2299 > 0.53430 GHz 0.23801 GHz 0.18718 GHz > Gaussian 09, Revision D.01 > Emily Jin $$$$