NIST 07141514473D 1 1.00000 -1601.89307 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 66 70 0 0 0 0 0 0 0 0999 V2000 0.8032 4.6481 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 3.2154 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 2.0762 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5578 4.8796 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5942 3.7520 -1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6769 2.7575 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 1.9179 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0722 4.2196 -1.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9643 2.9944 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8984 2.5443 -2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 3.7850 -2.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0212 4.9137 -2.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 4.7801 -2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 3.4842 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0522 4.1902 -0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9818 5.0468 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4299 1.1720 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 1.0162 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 -0.1170 0.6963 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4869 1.6960 1.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1642 2.9707 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 2.1245 -2.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 1.4369 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1367 0.4311 -1.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 -0.8704 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 3.5651 -3.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3975 2.6664 -2.8310 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.6374 1.7724 -4.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8430 3.8427 -2.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3203 1.4073 -1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 5.3587 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 4.8647 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 3.0495 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 3.1076 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 4.9288 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 5.8572 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9149 3.3066 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.2126 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2063 5.0183 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 1.6747 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 2.2885 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 4.8542 -4.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 5.8828 -2.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 5.7517 -2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 4.1249 -3.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 2.6240 0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 4.1093 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0773 5.3154 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 5.5110 -1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 0.6303 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 0.1598 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 1.4489 2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 3.6525 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 2.3318 -2.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -1.8464 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -1.0028 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3123 -0.4146 -1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5735 1.2002 -4.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8165 1.0730 -4.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6735 2.4836 -5.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 3.3074 -2.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7891 4.3165 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 4.6380 -3.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5825 0.6171 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2977 0.9184 -1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0869 1.8798 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 1 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 2 1 0 0 0 0 3 18 1 1 0 0 0 3 23 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 4 1 1 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 3 1 0 0 0 0 6 5 1 0 0 0 0 6 37 1 1 0 0 0 7 17 1 0 0 0 0 7 38 1 6 0 0 0 8 5 1 0 0 0 0 8 13 1 0 0 0 0 8 39 1 1 0 0 0 9 14 1 1 0 0 0 9 7 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 6 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 12 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 25 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 23 24 2 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 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. > 2015-07-14 > R190906 > B3LYP/6-31G* > 3.3977 debye > -1601.89306567 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 18.4339 0.4877 22.8317 2.2635 24.7986 2.4098 45.1182 0.1114 52.6862 0.7951 61.3714 2.3084 84.3715 1.0416 101.8885 2.0107 108.3819 0.9753 119.7810 6.1173 139.0504 0.0214 143.0275 0.4882 151.5744 0.2370 155.0783 0.1081 160.7892 1.2949 165.7183 0.7532 174.8663 0.1582 182.0974 0.4745 193.2616 1.8749 196.7768 0.1443 210.1916 0.5583 213.2572 0.6512 216.3393 1.0761 223.0118 0.8591 240.7198 2.8851 252.4239 1.1990 261.8831 4.3772 266.3206 1.2899 281.7560 6.8669 294.1466 4.5731 301.7908 1.9852 314.8459 1.9850 328.2796 3.1685 352.4811 0.9362 364.8296 2.1417 382.6571 0.8678 392.8928 1.7272 417.9008 3.6173 440.7744 0.7793 451.4187 2.6133 469.5647 0.8727 484.0029 0.9367 498.7502 1.0224 521.7525 1.3728 527.1581 5.4800 530.8831 4.4218 549.7676 2.5217 573.9897 4.4929 586.8357 1.0794 601.3672 3.6353 616.0255 13.4211 622.8777 3.5649 637.5108 2.1502 685.6166 8.5126 689.2612 7.8880 691.2556 4.3678 696.1507 0.1000 710.4817 1.6797 727.1428 6.0154 733.9864 1.7597 745.3069 1.2796 780.4516 21.4982 784.5624 3.0112 785.4128 18.9701 793.9709 9.5949 797.7891 2.1788 818.4637 0.7228 855.6624 7.9602 867.8410 7.9202 869.4478 2.9325 881.6630 13.5425 882.5201 83.9061 887.3316 88.0602 892.6233 10.3370 909.9741 145.9992 923.3989 2.7623 929.2215 21.2309 933.2384 51.8454 944.1014 16.2082 954.7458 0.5484 966.1641 104.4965 981.7832 5.3807 990.8948 6.2854 997.6945 2.4232 1012.6564 3.1955 1045.0216 6.4404 1054.4131 24.2135 1058.8361 6.6966 1066.0026 36.7672 1073.5479 22.2521 1081.8880 17.5353 1085.3038 32.3763 1100.6230 39.2052 1109.4593 34.5245 1130.0792 0.9891 1136.8375 21.0144 1156.7187 18.8423 1158.6624 256.0266 1162.5271 29.9994 1166.0420 225.2935 1170.7996 124.5915 1178.3237 0.7685 1181.3119 49.6489 1205.3082 3.6255 1212.2401 34.6599 1226.0719 5.9305 1240.5949 128.0350 1243.4364 24.5532 1249.6210 21.5371 1258.4573 5.9706 1267.9890 8.5486 1276.9476 4.9808 1286.0761 20.2467 1299.7647 17.5528 1313.1771 22.5268 1316.6581 5.2494 1323.7614 8.4511 1324.7626 30.7316 1329.0397 40.6173 1336.7682 37.1099 1339.4348 22.5365 1345.4000 11.9133 1360.0018 13.6204 1374.9887 4.5018 1379.1314 17.1621 1382.3415 0.5549 1392.3819 4.6465 1397.2496 14.6745 1408.7941 28.5531 1418.3394 12.9618 1438.0970 24.2810 1446.0948 2.3437 1448.3663 12.5929 1465.5905 3.6666 1486.1674 0.3778 1491.5422 0.5611 1492.5451 1.0176 1497.9040 1.2731 1499.3209 4.6938 1500.0968 2.7062 1504.1079 7.7888 1510.3155 9.4594 1514.2702 12.3816 1517.0681 3.2454 1517.1669 1.1925 1523.4710 8.9101 1526.7056 4.3346 1527.5898 5.8257 1531.3028 2.2590 1533.3436 7.5230 1544.1198 5.1277 1547.2976 2.2486 1555.3752 4.3424 1738.8915 7.5213 1821.3741 175.8939 1833.3645 318.5790 3030.7262 10.4524 3041.7365 4.5799 3042.6443 5.3548 3043.1387 19.3286 3045.1236 4.2663 3049.4300 10.7045 3050.9756 5.0819 3055.2255 25.0002 3055.7728 32.9886 3056.3457 20.2076 3062.5240 29.9732 3065.5676 23.8428 3066.5286 17.2204 3071.9353 26.8997 3073.0539 5.9994 3077.0649 23.7027 3087.8576 33.5814 3089.0031 17.5808 3099.8900 12.1965 3102.0924 42.2391 3107.4299 35.9262 3111.2638 12.1238 3112.1587 2.7076 3115.1223 48.5373 3115.6787 3.4542 3118.9280 41.2002 3120.1161 14.6574 3121.9301 24.0149 3126.6892 13.5665 3128.6338 14.4064 3129.3936 28.1633 3133.1034 26.0289 3150.3240 14.3176 3160.1265 7.8320 3165.7074 20.3747 3237.4237 9.5680 > 0.28548 GHz 0.09601 GHz 0.08801 GHz > Gaussian 09, Revision D.01 > Yvonne Niyonzima $$$$