NIST 07091508243D 1 1.00000 -950.14327 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 41 40 0 0 0 0 0 0 0 0999 V2000 68.4983 50.8941 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6551 50.9190 -0.0427 Si 0 0 0 0 0 0 0 0 0 0 0 0 66.1097 49.3937 -0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 66.3653 51.3538 1.5238 O 0 0 0 0 0 0 0 0 0 0 0 0 65.8464 52.0476 -0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 69.1966 52.2486 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 64.8199 48.8840 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 65.2755 52.1197 2.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7323 51.9870 -2.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 70.7086 52.2075 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 64.8854 48.0391 1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7516 52.9359 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 64.7816 53.0763 -2.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 71.4043 53.5563 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 72.9127 53.5107 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 68.6806 50.5418 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 68.9383 50.1298 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 69.0139 52.5811 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 68.7398 53.0105 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 64.0960 49.7026 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4786 48.2770 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 64.8720 52.7740 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4748 51.4325 2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 66.7228 52.1257 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 65.3645 50.9979 -2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 70.8907 51.8717 -1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 71.1679 51.4483 0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 63.9017 47.6118 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 65.5990 47.2184 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 65.2111 48.6466 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 64.9191 53.5045 3.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 66.1633 52.2814 4.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 66.5328 53.6407 2.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 64.6864 53.0572 -3.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 63.7878 52.9349 -2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 65.1503 54.0628 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 71.2233 53.8891 0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 70.9416 54.3140 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 73.3793 54.4888 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 73.1242 53.2111 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 73.4097 52.7891 0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 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 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 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. > 2015-07-09 > 2761-24-2 > B3LYP/6-31G* > 1.4167 debye > -950.143267540 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 17.8580 0.0239 22.7415 0.3772 31.8396 0.3880 34.6510 0.4080 42.9004 1.4643 48.9197 0.1242 50.2170 0.0968 66.3838 1.0382 69.2946 0.3504 86.9156 2.0498 110.0959 0.1281 128.0224 6.2701 131.8477 0.0020 160.4327 2.8883 169.1247 2.7095 206.7442 0.8987 224.2608 1.8846 252.6017 0.0577 258.1052 3.9493 266.0198 0.6058 271.9638 4.5226 283.9432 4.7022 331.8192 7.6150 336.6692 1.1827 380.9438 12.1183 406.3447 2.1117 428.9564 12.4881 461.3924 10.9817 481.8095 53.2679 654.7382 2.7105 698.8508 2.5908 743.9345 5.5259 767.8455 79.9445 782.7063 41.7424 813.6796 57.1154 820.7715 10.2221 823.2527 15.4203 824.3636 39.6233 830.4207 23.6433 910.6048 2.8336 941.2553 1.1857 950.0955 62.6434 970.4820 64.7706 977.1952 78.7133 1003.8231 15.6960 1046.2562 8.3217 1060.0632 17.8208 1069.7574 0.0624 1101.1569 202.6156 1112.5816 300.8185 1118.9446 81.9268 1125.2970 22.4576 1136.8021 84.8673 1139.5435 146.5086 1155.1342 223.0919 1193.9915 3.3911 1201.4487 15.3854 1209.8940 42.4993 1232.1773 22.0715 1235.7442 1.3871 1298.2977 1.3837 1318.4402 19.4629 1324.4636 0.1148 1331.2962 2.8782 1332.6653 7.0609 1345.7398 0.9410 1351.6150 1.4916 1391.2359 1.7302 1418.7305 8.2683 1419.9823 0.3699 1421.8295 7.3725 1423.4779 3.7269 1441.1466 1.1143 1444.0753 25.9845 1447.7342 22.7851 1449.8488 34.8903 1486.7057 9.7490 1514.0806 4.9206 1514.2114 3.2109 1514.5755 2.5171 1515.0400 1.1923 1520.1989 0.3360 1528.4687 1.4027 1529.1427 0.2327 1529.5189 2.3647 1530.6442 5.7149 1532.9237 1.2910 1542.8181 3.7131 1553.3173 0.2946 1554.7381 1.5568 1556.1228 0.3583 3012.4560 6.3971 3012.5428 46.9790 3020.0640 14.6114 3023.0207 14.2763 3023.4345 72.2307 3027.4646 11.5386 3033.2628 45.0484 3037.8923 24.4457 3040.7797 48.0248 3049.7539 38.0423 3052.2713 17.3357 3053.8385 20.8824 3054.0592 6.6832 3055.1601 19.4761 3064.5276 7.2376 3069.5932 40.4276 3081.6567 47.3107 3082.3886 36.5219 3105.7394 68.9590 3108.9664 44.6906 3121.6944 27.7804 3123.2456 40.0694 3124.8466 33.8957 3132.9865 28.9594 3133.6596 43.1622 3135.7189 35.1775 > 0.55512 GHz 0.24643 GHz 0.23049 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$