NIST 07251215413D 1 1.00000 -348.89775 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 19 22 0 0 1 0 0 0 0 0999 V2000 0.6911 1.1797 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 1.3756 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 0.0779 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -0.7890 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6772 -1.1702 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -0.9604 -1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 -0.0673 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 -0.0877 1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2179 2.5166 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 2.0487 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 0.0635 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 -1.3663 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -2.0007 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 -1.9216 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -0.5111 -2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5107 -0.0054 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -0.1443 2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 3.4294 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 2.5789 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 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. > 2012-07-25 > 3721-64-0 > B3LYP/6-31G* > 0.9457 debye > -348.897745312 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 143.1090 0.1536 330.1676 0.1866 353.3905 1.8272 429.4548 0.0404 578.7175 0.6437 640.1904 0.2069 648.5646 1.6755 660.0075 0.0051 746.6657 13.3008 769.5300 0.8559 769.6748 6.1208 783.2688 0.0007 821.4010 10.8781 825.7901 2.2641 887.0963 38.9838 894.2723 12.8924 912.1486 5.3581 950.9182 1.9383 967.8889 1.3473 990.9575 0.5273 994.3976 6.9963 1004.6981 0.2225 1035.3147 0.0010 1048.6592 3.7149 1079.9870 0.6059 1085.2760 0.0179 1105.2343 0.9930 1115.6407 0.4471 1137.3504 0.3779 1219.1532 0.0087 1270.8911 0.0201 1292.2201 0.0038 1320.9561 0.1011 1321.5010 2.8563 1339.4398 0.3860 1355.7632 1.5236 1401.6844 2.1562 1412.7372 0.2074 1485.0463 0.0627 1518.7812 0.2870 1738.7904 36.9892 3040.8416 50.5006 3075.5800 25.5337 3161.9422 7.6485 3174.9801 11.7385 3175.9163 20.7187 3186.1973 30.2558 3188.5014 3.2410 3205.0990 18.9553 3215.5415 22.3993 3238.5226 16.2350 > 2.88848 GHz 1.91734 GHz 1.66760 GHz > Gaussian 09, Revision C.01 > Katherine Hafner $$$$