Silane, trimethyl(undecyloxy)- NIST 07211318133D 1 1.00000 -917.57912 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 0.0636 9.6944 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 10.9477 0.1292 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 11.1299 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 10.7817 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 10.4573 -0.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9182 11.4158 -2.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 11.0665 -3.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 11.7023 -4.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5809 11.3497 -5.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9596 11.9908 -5.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 11.6377 -7.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9897 12.2833 -7.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6460 11.9315 -8.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0199 12.5820 -8.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 12.6865 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 10.9281 1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4028 8.6801 0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2701 9.6958 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 9.9141 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 10.8288 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 12.2214 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 11.1078 -3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 9.6890 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5929 11.0957 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 12.5096 -2.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 11.3845 -4.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6399 9.9735 -4.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6030 11.3891 -3.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 12.7958 -4.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 11.6605 -6.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 10.2565 -5.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 11.6825 -4.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8659 13.0840 -5.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 11.9441 -7.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7094 10.5447 -7.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6568 11.9778 -6.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8933 13.3765 -7.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9797 12.2364 -9.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7441 10.8394 -8.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4609 12.3116 -9.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7192 12.2681 -7.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9493 13.6760 -8.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 13.4381 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 12.7293 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 12.9920 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8487 11.6171 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3434 9.9261 2.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 11.2257 2.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 15 1 0 2 16 1 0 2 5 1 0 3 4 1 0 3 5 1 0 4 6 1 0 6 7 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 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 16 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. > 2013-07-21 > 17957-64-1 > Silane, trimethyl(undecyloxy)- Trimethylsilyl undecyl ether Undecyloxytrimethylsilane > B3LYP/6-31G* > 0.9567 debye > -917.579118809 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 14.1127 0.0131 22.4726 0.0119 26.5625 0.0766 33.2298 0.1290 51.8058 0.3907 57.1191 0.0355 71.0066 0.2323 94.7037 0.2909 102.3171 0.1408 112.3091 0.3722 125.6234 0.0005 135.9837 0.2718 136.9613 0.1145 145.0314 0.0282 150.8943 0.1656 154.6132 0.0072 166.3534 0.0432 172.5282 0.1709 174.0251 0.0932 192.9043 0.2158 203.7558 0.5583 226.5619 1.8009 248.3827 0.0012 264.6245 2.6274 282.2902 11.7055 314.4321 2.7217 336.8704 4.1277 399.3831 1.6874 437.2418 0.7425 492.8974 0.7843 509.1033 0.2437 599.7117 0.3213 681.8249 9.8881 694.2742 5.2276 695.8456 1.6617 738.1927 5.6762 739.0144 0.1859 745.1092 1.8166 760.8118 0.3183 772.2571 18.4335 777.3919 22.8826 789.2683 18.4728 791.5703 7.3809 834.2855 0.5858 884.5677 107.7134 886.0604 92.8973 890.6945 11.7939 903.9757 0.3704 917.7826 256.6442 952.0593 1.0513 993.4028 0.6438 1001.9149 8.8940 1011.7911 0.0734 1032.2939 4.0763 1047.1042 5.7408 1060.7155 3.1599 1060.9337 0.3220 1073.5416 0.5277 1076.6872 0.7950 1078.3389 0.5919 1107.8754 4.9831 1124.2340 410.7423 1151.9321 0.2377 1208.0031 6.5527 1227.4596 1.2237 1240.1719 2.9825 1255.3143 0.6689 1275.4255 1.2798 1286.4451 0.2201 1311.4565 0.8477 1315.8643 0.1049 1328.2112 38.5294 1329.7481 41.2552 1334.1184 1.8819 1337.7818 1.5415 1338.7345 21.4774 1341.8293 0.0367 1346.9371 0.2579 1348.7337 0.3066 1353.4756 0.0301 1355.2138 0.0635 1381.7246 2.3242 1408.9344 0.1880 1424.3723 2.1655 1427.2540 0.1201 1428.9898 0.1610 1441.0040 0.9428 1448.2220 34.9416 1485.8692 0.2137 1490.9944 0.1494 1491.8412 0.1097 1498.6382 1.7477 1500.2788 3.5168 1509.8367 8.6355 1513.0189 0.0208 1513.1425 0.0045 1516.0512 0.3169 1516.5418 0.0174 1519.5487 0.0784 1523.7912 0.5670 1529.6060 5.6988 1529.7475 0.4417 1535.9714 0.8633 1541.4124 0.7949 1545.3266 4.3590 1550.8950 4.1169 2990.1270 32.2586 3009.8729 1.2093 3010.1227 0.4294 3011.8748 1.9470 3014.0531 1.0707 3014.6146 7.1341 3020.2687 0.0673 3022.5950 29.3129 3025.8219 19.9175 3029.1264 196.7908 3030.6288 0.0969 3031.9999 0.7284 3034.8171 1.7931 3039.1515 6.1669 3039.8819 1.2319 3041.2179 4.8617 3041.3399 43.9602 3044.2228 55.4061 3046.6876 4.1829 3049.4183 0.6381 3059.6740 4.0466 3068.8706 1.1280 3076.4235 168.1005 3089.2485 110.6949 3106.0093 69.9012 3107.7956 0.8510 3110.5841 49.3222 3110.6759 31.0210 3115.6785 9.8717 3116.9817 10.4428 3118.8959 31.2131 3125.6252 15.0034 > 2.16503 GHz 0.06736 GHz 0.06709 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$