NIST 07041508493D 1 1.00000 -2242.24503 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 64 63 0 0 0 0 0 0 0 0999 V2000 0.3970 -0.1143 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -1.6124 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 -2.4080 0.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.7864 1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4915 0.7119 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 0.2408 -0.5666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -2.4442 1.3238 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 -2.8313 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 -0.8229 2.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -3.8580 2.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 -2.0835 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4191 2.4392 0.4570 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.9619 2.9777 1.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 3.0712 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5105 2.8993 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -1.9784 1.3241 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -1.7729 2.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -2.1341 2.6191 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.5824 3.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -2.2884 1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -3.6931 3.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6696 -1.1769 -1.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 -1.4249 -2.7743 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 0.0562 -2.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -1.4834 -4.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6558 -3.0326 -2.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9163 -2.9373 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 -3.7655 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0649 -2.0304 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 -0.9426 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -0.5354 2.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 -0.0097 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5419 -3.6560 3.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1486 -4.8031 2.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 -3.9980 3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -2.1543 -1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -3.0877 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 4.0706 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 2.5710 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9379 2.6323 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 4.1682 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 2.7084 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 2.7408 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 2.5035 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 3.9892 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 2.4947 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9812 -0.6263 4.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 -0.4660 4.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4031 0.3104 3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 -2.3877 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -3.1681 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0592 -1.4063 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8693 -4.5770 2.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -3.6214 4.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6325 -3.8565 4.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 -0.0001 -3.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4042 0.1110 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2898 0.9937 -2.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 -1.6056 -5.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9739 -2.3180 -4.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 -0.5593 -4.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2271 -3.0259 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 -3.1701 -3.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -3.9127 -2.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 2 0 0 0 0 5 12 1 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 28 1 0 0 0 0 8 27 1 0 0 0 0 8 7 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 7 1 0 0 0 0 10 35 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 37 1 0 0 0 0 11 2 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 38 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 43 1 0 0 0 0 15 45 1 0 0 0 0 15 12 1 0 0 0 0 16 18 1 0 0 0 0 18 21 1 0 0 0 0 19 18 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 51 1 0 0 0 0 20 50 1 0 0 0 0 20 18 1 0 0 0 0 21 53 1 0 0 0 0 21 55 1 0 0 0 0 21 54 1 0 0 0 0 22 11 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 23 22 1 0 0 0 0 24 57 1 0 0 0 0 25 23 1 0 0 0 0 26 62 1 0 0 0 0 29 8 1 0 0 0 0 32 9 1 0 0 0 0 36 11 1 0 0 0 0 39 13 1 0 0 0 0 42 14 1 0 0 0 0 44 15 1 0 0 0 0 46 15 1 0 0 0 0 49 19 1 0 0 0 0 52 20 1 0 0 0 0 56 24 1 0 0 0 0 58 24 1 0 0 0 0 59 25 1 0 0 0 0 60 25 1 0 0 0 0 61 25 1 0 0 0 0 63 26 1 0 0 0 0 64 26 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. > 2015-07-04 > R101654 > B3LYP/6-31G* > 3.6107 debye > -2242.24503113 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 12.8650 0.0362 14.3333 0.2193 23.3168 0.4012 27.2395 0.1402 29.4421 0.1412 33.5346 0.8176 37.7278 0.2062 46.2880 0.0832 50.6589 0.3516 72.8212 0.0334 77.3089 0.1801 83.2331 0.3872 95.6940 0.0523 108.3766 2.2583 111.1360 0.9881 123.1972 1.3126 124.4706 0.1744 126.0677 0.1657 128.5543 0.1222 131.5360 1.1443 140.5580 0.0577 140.8284 0.1590 142.3116 0.2761 145.9057 0.0073 149.1357 0.1115 152.3695 0.3439 154.9953 0.0184 156.2998 0.1970 157.1169 0.0226 160.3597 0.1111 166.5975 0.4711 176.5326 0.2714 179.1194 0.7231 189.2125 1.6609 192.2243 0.2633 195.1890 1.2617 196.0267 0.6259 198.2164 0.9928 205.4696 0.7554 214.9389 1.6702 223.8513 1.4264 230.4675 8.5099 237.0431 2.8323 241.8922 4.2793 249.4531 5.9122 261.5003 11.0483 281.3764 15.8563 282.9713 13.6191 288.5124 10.7620 299.7600 1.1647 315.4767 6.5651 330.0592 19.2279 344.6654 1.3293 364.8477 3.5181 427.2908 6.7470 553.4748 31.4377 587.2153 3.5624 598.2460 1.2704 602.5542 1.4489 610.4049 2.1755 682.0456 39.9472 685.5808 9.3741 689.6657 10.0378 692.5100 7.1049 695.2978 4.8663 697.8333 0.0944 699.5866 14.3980 700.9677 2.0550 701.1384 10.1006 701.5462 6.0607 707.7797 55.5968 709.1149 0.2236 709.2218 3.7393 710.2161 0.8879 728.9135 69.9280 748.7599 9.6901 754.0862 27.5805 773.3996 5.1266 775.9550 23.5756 782.3194 11.0438 786.1118 28.9058 790.0505 25.6017 791.4061 48.5837 792.0156 49.4713 798.5603 17.7394 814.3973 13.5275 844.2920 5.1381 871.0797 4.9672 885.0329 64.2632 887.8449 42.8364 891.6105 326.9388 892.1189 92.1512 894.3189 156.2582 896.2711 17.2881 897.3625 122.6885 897.6850 154.9616 899.3693 109.1141 906.3871 694.1754 908.5536 162.9804 934.9708 35.0303 954.3074 0.3427 1119.6510 71.5712 1129.4908 99.6196 1160.4303 210.8377 1192.6237 564.6417 1261.0282 274.1780 1304.5514 238.2501 1320.5412 52.5803 1324.8874 16.0810 1327.3769 50.2961 1327.6273 83.8841 1327.9667 13.5109 1328.8195 62.2643 1329.7272 58.5533 1330.4172 17.4487 1332.4015 56.6860 1336.4153 1.3826 1337.7303 43.2487 1338.4460 32.5787 1342.3799 124.0682 1431.7133 46.0945 1479.4994 0.2618 1480.1783 0.5641 1483.6871 0.6751 1484.4380 0.6146 1488.4628 0.4800 1489.1003 0.0918 1489.6027 0.3457 1489.8780 1.4410 1490.8987 0.2683 1492.1073 2.1434 1492.5361 5.1660 1493.3380 2.9462 1493.8315 1.9164 1495.3601 2.9175 1495.9365 3.5998 1497.4092 0.5408 1498.0893 1.5169 1498.6266 1.5805 1500.3832 3.1420 1504.4993 5.9379 1508.1768 9.0187 1510.4722 26.0585 1511.5582 15.3215 1518.3868 9.0416 1530.0143 10.6588 1775.8084 213.3967 1801.4321 228.3967 3038.3411 20.5600 3041.0110 3.8268 3042.0606 3.1265 3043.4067 10.0461 3043.5543 12.3523 3045.9281 3.0402 3046.3130 2.4045 3046.3838 1.6917 3047.8135 6.9057 3047.8506 6.2570 3048.5377 6.7903 3050.0939 5.6020 3050.4517 6.0895 3088.7949 25.4733 3109.5636 5.2498 3109.8377 1.7123 3112.3611 25.4031 3113.8494 23.7760 3114.9426 3.7520 3116.6226 3.5132 3117.2267 17.2704 3117.3815 9.9087 3117.8790 1.9072 3119.3402 31.6439 3119.5563 39.4594 3120.2274 32.6590 3120.7484 18.3919 3121.4846 8.1102 3123.6374 16.8801 3124.8887 11.4999 3125.8417 17.4621 3126.0987 9.4503 3136.6094 11.2145 3142.7181 3.7038 3143.3882 3.9159 3144.7250 5.5331 3145.6807 6.4411 3147.8369 5.6853 > 0.14704 GHz 0.12765 GHz 0.11487 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$