NIST 06301517373D 1 1.00000 -235.83856 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 0 0 0 0 0 0999 V2000 2.4531 1.1510 2.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 1.9991 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2301 1.8568 3.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 3.2258 0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 1.0640 4.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 1.9205 4.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 0.8186 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8423 0.2371 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 2.3207 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1857 1.3618 0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 2.7380 3.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 3.9333 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 2.9350 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 3.7648 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 -0.0157 4.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 1.3886 5.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 2.8302 4.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 1.4149 3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 3 1 0 0 0 0 6 17 1 0 0 0 0 6 18 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. > 2015-06-30 > 2415-72-7 > B3LYP/6-31G* > 0.0756 debye > -235.838556716 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 66.0215 0.0154 121.2785 0.0504 193.5208 0.0371 259.1820 0.0613 318.0052 0.3822 387.3712 0.1479 478.1460 0.1322 734.6984 6.0847 783.8537 0.5309 823.7578 1.6065 842.4281 7.4846 862.7756 1.7465 902.6005 5.3028 937.4321 1.3857 972.7722 10.8971 1047.1449 3.0746 1064.5626 4.5867 1074.5010 0.9588 1081.3484 1.5917 1135.7481 0.3874 1154.4050 0.3534 1198.9404 1.2687 1211.7389 0.6794 1236.7635 0.2060 1287.9004 0.0947 1316.9557 0.9674 1372.9177 12.2706 1394.4859 3.1171 1438.4994 0.6584 1446.9633 6.4792 1495.4889 1.2225 1512.7009 1.4768 1517.6660 0.9089 1532.1504 4.5916 1537.0203 1.7795 1539.3126 4.0723 3016.0445 31.1224 3030.5396 21.9596 3043.0581 25.3167 3053.0930 37.5933 3065.4366 34.9582 3106.6687 48.8263 3113.6119 52.9988 3137.2147 26.1115 3141.8285 17.1023 3150.1808 15.8883 3210.1806 0.4723 3224.7792 31.8422 > 7.97234 GHz 1.82916 GHz 1.77459 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$