NIST 07021513163D 1 1.00000 -2207.49092 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 68 68 0 0 0 0 0 0 0 0999 V2000 6.3155 3.2469 -0.5535 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -0.1770 -0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 0.7502 -0.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 2.4103 1.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 1.2619 1.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 2.1077 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2287 1.1208 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7948 1.6837 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7257 2.1514 0.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1543 1.1421 1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9052 4.6934 0.0992 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 5.7908 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8174 5.5105 -1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0797 4.3288 1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 0.3328 2.9672 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.7316 4.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 0.8207 2.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -1.5074 2.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 -1.5849 -0.9599 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 -2.9668 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7379 -1.7796 -2.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5783 -1.5517 -1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 1.1294 -1.8573 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 -0.3914 -1.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 2.6591 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 1.4368 -3.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 1.6685 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 1.1641 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 2.5763 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 3.0832 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 0.1277 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 1.3843 2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 5.9813 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 5.3203 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 6.7628 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1499 5.6674 -2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2181 6.4890 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6560 4.8934 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 3.8130 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4941 5.2610 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 3.7038 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 0.1525 5.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 0.4995 5.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0019 1.7943 4.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 0.2775 3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 0.6000 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 1.8929 2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 -1.7548 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0879 -1.8107 2.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 -2.1229 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6032 -3.9481 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9016 -2.8402 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 -2.9793 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0164 -2.7047 -3.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -0.9489 -3.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6652 -1.8171 -2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8377 -0.7049 -2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1832 -1.4697 -0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8844 -2.4668 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 -0.2803 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -1.2907 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0285 -0.5616 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 2.8345 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 3.5643 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 2.5362 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6652 2.2668 -3.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 0.5493 -4.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 1.6919 -4.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 11 13 1 0 4 6 1 0 11 14 1 0 7 8 1 0 5 15 1 0 6 7 1 0 15 16 1 0 9 10 1 0 15 17 1 0 10 5 1 0 15 18 1 0 6 1 1 0 2 19 1 0 7 2 1 0 19 20 1 0 8 3 1 0 19 21 1 0 19 22 1 0 1 11 1 0 3 23 1 0 9 4 1 0 23 24 1 0 11 12 1 0 23 25 1 0 8 9 1 0 23 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 20 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 24 60 1 0 24 61 1 0 24 62 1 0 25 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 26 68 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. > 2015-07-02 > R163325 > B3LYP/6-31G* > 0.7900 debye > -2207.49092078 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 8.7716 0.0695 19.5622 0.0492 23.7852 0.2460 26.5097 0.1162 29.3066 0.1692 32.8784 0.1086 36.5197 0.2571 40.5848 0.1012 46.1502 0.7340 54.6461 0.5679 70.8383 0.2654 87.8224 0.0780 97.5746 0.5216 106.3092 1.0831 116.6421 0.8093 126.7558 0.0390 133.1743 0.0555 135.4273 0.0396 141.9776 0.0177 142.3595 0.0238 143.6411 0.1720 146.1724 0.1780 150.6027 0.4789 155.5706 0.1549 157.1540 0.1906 160.6135 0.0268 162.0093 0.0214 163.0669 0.0507 165.8605 0.0234 171.7556 0.8022 173.2583 0.1260 174.1725 0.1006 186.4412 0.1886 189.5474 0.2637 193.1792 0.2284 194.6904 0.0383 195.6660 1.3262 202.7386 2.2316 212.4977 0.1236 215.5454 0.2907 233.5030 0.9245 235.3179 0.5816 245.5780 0.9127 259.3100 5.8511 271.6013 7.4164 283.8402 16.0469 292.9103 11.5598 294.0851 2.9476 299.7367 5.6310 321.1181 11.6518 329.9097 9.0558 357.5475 26.7176 389.3436 15.7999 484.4280 11.9140 495.2474 1.4528 573.5566 7.1715 588.8446 0.5598 599.8814 0.6166 607.0928 2.1318 612.2212 6.4210 685.0514 9.1083 685.2038 8.6549 686.4363 8.1624 690.0597 7.5323 693.9851 5.5507 694.1694 7.6676 696.4164 4.1930 696.6179 5.7026 698.2836 1.3468 699.2439 1.3042 701.0131 0.5146 702.7231 0.1230 714.4970 44.9588 748.0872 1.8469 774.3958 31.7927 776.0274 1.2880 777.4463 21.1041 778.5407 11.0022 779.6845 19.5381 784.4614 18.1693 788.2033 1.0372 789.3597 16.7812 793.4159 52.3317 796.0548 19.1644 819.3539 16.1998 838.3279 4.9141 869.2636 15.2949 882.1614 92.8060 882.3206 13.1399 885.4053 108.2817 887.4734 39.1184 888.8880 141.6665 889.8771 61.0580 890.8097 145.3104 892.7695 68.4202 906.2589 673.4215 912.2959 320.6528 924.3777 401.1480 934.9690 25.4763 945.8473 0.6912 998.4402 66.9088 1030.9913 85.7310 1059.4582 262.6102 1083.9427 274.0262 1105.7545 236.3830 1127.6682 264.0885 1146.5317 51.5471 1174.0127 63.4696 1182.1967 305.7756 1255.0549 0.3962 1286.8575 19.2340 1320.1830 4.5176 1325.7225 24.8974 1326.4512 29.2724 1326.7629 33.4068 1327.9403 53.7453 1328.1892 22.2440 1329.2998 49.6945 1329.9182 32.3266 1330.3679 34.7310 1335.1342 32.9629 1336.6175 17.1264 1337.1064 22.0808 1337.6509 58.0838 1338.5491 3.1496 1358.2751 16.8552 1383.9258 11.5351 1399.9412 20.9887 1420.9829 18.7697 1430.7686 6.4360 1449.5201 14.9157 1484.0190 0.2590 1484.5490 0.3780 1484.9636 0.1076 1485.3999 0.3643 1488.8284 0.6004 1489.4403 0.2012 1489.8619 0.3723 1491.1971 0.2789 1491.5884 0.1850 1492.6588 0.1797 1493.8536 1.3509 1494.5503 0.8883 1495.9524 1.7658 1497.6562 3.6890 1497.9989 2.1537 1498.6645 1.8991 1499.4827 1.1964 1499.6949 1.0827 1500.9409 3.7144 1501.9718 1.5006 1506.5274 7.0779 1509.3914 12.0988 1512.1552 8.7724 1513.7052 10.3874 1538.5205 10.7508 3025.6524 16.4672 3029.3131 31.2035 3038.8772 4.4775 3039.0199 4.1775 3040.1069 5.4156 3041.9009 3.1532 3041.9315 11.0608 3042.3072 7.6128 3043.5504 3.5201 3044.4861 4.8075 3045.4149 5.9509 3045.7299 3.4700 3046.6499 3.3961 3047.2791 3.0161 3065.8928 27.2514 3074.5301 32.0899 3084.5278 36.6046 3105.4349 1.5520 3107.6794 5.1826 3108.3877 25.9467 3108.6891 12.7442 3110.1968 8.0742 3111.7449 12.1353 3112.1038 39.4892 3112.6378 10.4174 3112.7032 23.5414 3116.3537 8.5619 3116.4412 35.7772 3116.6416 4.5458 3116.9106 26.4906 3118.0806 3.3006 3118.7189 27.2028 3118.8167 24.8005 3119.2301 32.7688 3121.9300 14.9553 3123.0161 17.7393 3124.7722 12.2589 3125.8816 8.7440 3126.4620 15.4174 3129.2226 15.9775 3132.5785 15.0437 3136.5437 5.6821 > 0.15720 GHz 0.10565 GHz 0.09159 GHz > Gaussian 09, Revision D.01 > Daniel Graham $$$$