NIST 07141514473D 1 1.00000 -1103.87766 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 0.0528 1.0246 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 0.7095 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 1.7822 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 1.5435 1.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 2.4774 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 2.1030 2.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 3.0381 2.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9455 2.7979 3.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0270 3.8672 3.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 3.6257 4.4799 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9805 4.5590 4.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8572 4.1814 5.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9229 5.1135 5.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1508 5.0758 6.9496 Si 0 0 0 0 0 0 0 0 0 0 0 0 14.2354 6.5539 6.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4314 5.2392 8.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 3.4663 6.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -0.6928 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 0.2824 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 2.0123 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 1.0098 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 0.7523 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 1.7680 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 2.7845 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7344 2.4617 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7452 3.5034 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 2.1215 3.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 1.0778 2.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4225 2.8454 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4049 1.7997 3.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5679 4.8654 3.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5482 3.8206 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5808 4.5425 3.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6000 5.5846 4.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 4.1966 6.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 3.1562 5.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0837 6.6324 7.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6379 6.4738 5.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6672 7.4891 6.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2308 5.2687 9.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7746 4.3997 8.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8473 6.1616 8.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5562 3.3483 5.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9602 3.4525 7.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5101 2.5849 7.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 -1.4606 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 -0.9025 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 -0.7847 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 9 10 1 0 2 3 1 0 10 11 1 0 5 6 1 0 11 12 1 0 1 2 1 0 12 13 1 0 6 7 1 0 13 14 1 0 3 4 1 0 14 15 1 0 7 8 1 0 14 16 1 0 14 17 1 0 8 9 1 0 2 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 15 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. > 2015-07-14 > R188502 > B3LYP/6-31G* > 0.2333 debye > -1103.87765824 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 11.0783 0.0405 19.2328 0.1519 23.3613 0.0694 27.2204 0.0417 39.6624 0.0074 48.0109 0.3675 56.1190 0.0174 73.2639 0.0056 81.0981 0.0720 96.8054 0.0321 110.5424 0.0154 124.7329 0.1657 126.7060 0.0719 133.0787 0.2437 141.2029 0.0319 146.6198 0.0270 150.8032 1.1451 157.8344 1.0467 164.4382 3.6017 167.8605 15.7450 191.4365 0.8057 194.3732 0.1814 220.2955 1.9231 227.5281 0.4218 245.7503 6.5043 260.4085 1.8096 282.5153 15.7107 297.7454 1.4422 307.2135 1.9570 363.5274 2.5170 383.1031 5.1222 419.8234 0.2002 463.7374 0.6727 478.5937 0.3481 534.7285 5.2036 560.8956 2.5451 603.2390 1.4377 684.5883 9.0151 695.2513 6.3040 698.1824 0.0273 774.9881 26.1944 779.0374 10.5364 790.6187 30.9532 835.4752 0.4296 838.8122 0.3615 842.2680 0.2522 851.3079 0.9142 885.8828 109.3954 886.9679 105.4012 917.8789 283.9228 935.0972 6.8894 944.5318 1.2111 971.5259 3.2229 984.4861 2.6195 1013.2852 71.0353 1038.1692 6.6721 1055.6836 1.5169 1071.0502 1.3206 1109.5553 2.4460 1138.0375 377.1274 1153.5723 19.6601 1163.3201 5.8693 1168.8782 163.2472 1173.0843 44.4221 1178.5519 1.4528 1181.8661 1.6419 1187.1095 645.1909 1192.9921 8.5119 1207.5307 4.9607 1213.7735 0.4029 1238.8155 0.7401 1248.0968 0.5248 1256.5195 19.2533 1293.3862 2.6859 1307.3993 0.0024 1309.9937 0.0018 1319.7010 2.9178 1329.3342 41.4024 1330.2387 37.8078 1337.8655 25.6115 1342.3399 71.8443 1351.5589 56.2063 1369.6719 0.1486 1391.5477 5.5523 1394.4896 12.7853 1426.9359 3.5762 1432.0129 4.0066 1445.6721 3.4652 1457.2687 9.9321 1477.6557 0.8282 1485.5194 0.1967 1490.9422 0.1504 1491.1941 0.0249 1494.5358 0.8298 1497.6109 1.6968 1499.4157 3.2472 1508.9425 8.4227 1520.2832 1.5247 1521.7797 2.3585 1533.9846 6.0384 1539.9579 1.2320 1541.9763 0.1936 1543.8971 10.4990 1547.5604 13.0844 1553.9574 22.7463 1563.7337 1.8458 1567.1134 0.4459 1570.0211 0.0382 2960.8023 37.2854 2987.9461 3.1701 2989.6154 16.6632 2991.2974 47.1891 2993.4694 55.9330 2999.3906 1.8261 3001.8751 148.1298 3013.1784 0.6390 3015.7340 0.5335 3015.7715 55.3997 3024.0175 19.7017 3033.7094 14.0172 3038.2887 22.5671 3039.9346 3.5821 3039.9870 110.4426 3041.8523 5.5798 3041.9043 92.6544 3044.1421 50.3418 3046.9041 3.4650 3061.1010 80.9828 3099.9324 13.2815 3105.2154 62.6163 3109.0020 0.7124 3111.7620 29.7984 3114.3836 43.4115 3117.0168 12.9026 3117.5298 6.9995 3119.2769 30.1246 3125.7658 14.5118 3138.8276 24.1543 > 1.79465 GHz 0.05508 GHz 0.05468 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$