NIST 07011507543D 1 1.00000 -391.91354 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 28 29 0 0 0 0 0 0 0 0999 V2000 2.7627 0.7347 1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 2.1725 1.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 2.9701 1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4518 2.6840 1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 0.6039 1.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 2.0616 1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 1.8863 1.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8529 4.1217 1.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8898 2.7949 1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 4.2526 1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 -0.0287 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 0.6193 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 2.2068 2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 3.1261 0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 3.9603 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 2.6497 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1707 0.0967 2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7149 0.0013 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1705 2.2121 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 2.2949 2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7557 0.8963 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 1.7300 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 4.2369 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2225 4.8852 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 2.5610 0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 2.6450 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9006 4.8563 1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 4.7586 0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 1 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 2 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 3 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 4 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 9 1 0 0 0 0 10 27 1 0 0 0 0 10 28 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. > 2015-07-01 > 1636-39-1 > B3LYP/6-31G* > 0.0000 debye > -391.913539992 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.6705 0.0000 35.6038 0.0012 90.2093 0.0029 99.7316 0.0172 132.2350 0.0147 184.1654 0.0000 314.5390 0.0000 364.7165 0.1479 387.6107 0.0000 517.1971 0.0000 625.4373 0.0003 629.0586 0.9030 648.8391 1.7076 773.3823 0.0000 790.7122 2.1515 828.7550 0.0000 829.9499 0.3462 880.9618 0.0000 889.9794 0.8319 899.8708 0.0000 906.1039 1.8978 949.3725 3.5729 964.7994 0.1120 972.3436 0.0000 985.8279 0.0000 995.2848 0.5950 1002.0306 0.0000 1053.5933 0.0000 1063.4123 0.2605 1077.2405 0.1328 1130.4919 0.0000 1135.8046 0.0000 1149.3959 0.5728 1218.2545 0.0000 1218.8202 1.4572 1233.0536 0.0000 1243.7520 5.5315 1257.5332 0.0000 1268.1564 1.2821 1278.1303 0.0001 1302.4739 1.7968 1311.3978 0.1723 1315.9833 0.0000 1341.1786 0.0000 1346.9875 0.8942 1353.0964 1.2707 1353.2340 0.0115 1357.5179 0.0000 1363.2231 2.1732 1367.4310 0.0000 1390.7070 1.9099 1427.1017 0.0000 1514.6534 0.1338 1515.3673 0.0000 1524.6233 0.0006 1524.9596 1.5488 1525.7685 0.0025 1526.0174 5.5476 1549.2361 0.2890 1550.0107 0.0000 2980.7205 0.0000 2991.3830 25.8067 3026.7909 1.3685 3026.8108 33.4784 3034.0613 0.0002 3036.4601 102.7392 3051.6966 0.0646 3051.9500 43.8706 3064.1971 119.5177 3065.1814 0.0009 3081.9843 0.0003 3083.6121 53.4417 3092.3363 15.1734 3094.7082 0.0004 3096.1467 0.0002 3098.4096 59.1657 3111.0626 0.0036 3111.1906 184.6393 > 3.24048 GHz 0.70873 GHz 0.61078 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$