NIST 08031215013D 1 1.00000 -237.08550 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 20 19 0 0 0 0 0 0 0 0999 V2000 20.9243 62.0497 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4539 62.0086 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5461 63.0752 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5572 61.6345 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4764 61.4639 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0272 60.5898 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7924 62.4615 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8726 62.6319 -0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5586 60.5389 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6891 60.1362 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6078 59.9658 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1319 59.1202 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8967 60.9926 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9780 61.1629 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6615 59.0791 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7933 58.6673 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7132 58.4970 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1094 59.6649 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0287 59.4943 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0397 58.0536 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 2 7 1 0 2 8 1 0 6 9 1 0 6 10 1 0 6 11 1 0 9 12 1 0 9 13 1 0 9 14 1 0 12 15 1 0 12 16 1 0 12 17 1 0 15 18 1 0 15 19 1 0 15 20 1 0 M ISO 8 3 2 4 2 5 2 7 2 8 2 10 2 11 2 13 2 M ISO 6 14 2 16 2 17 2 18 2 19 2 20 2 M END > Collection (C) 2016 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. > 2012-08-03 > 21666-38-6 > B3LYP/6-31G* > 0.0000 debye > -237.085503447 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 74.1966 0.0084 100.1721 0.0001 132.3277 0.0116 150.1767 0.0000 241.4093 0.0000 253.6608 0.0023 295.5030 0.0000 366.2307 0.0000 465.2026 0.0875 737.3799 4.4370 752.1609 0.0000 815.2768 1.3434 896.4604 2.7148 913.4877 0.0000 916.6962 0.0000 1021.1956 0.0000 1024.4541 0.4676 1061.5381 0.3221 1077.0593 0.0000 1086.2127 4.5401 1169.1849 0.0000 1222.0585 0.0000 1268.8312 0.0060 1288.0051 6.2029 1325.0173 0.0000 1346.5660 0.0000 1351.8105 0.7860 1359.9246 0.0000 1411.4632 2.9395 1426.7817 0.0000 1439.8679 2.7240 1441.4668 0.0000 1514.6349 0.5079 1514.6876 0.0000 1521.3591 0.0000 1528.8802 8.5633 1529.5172 0.0000 1530.4251 4.4403 1538.8170 0.0000 1544.3195 4.6850 3011.8072 0.0000 3014.6815 6.4461 3025.8142 0.0001 3030.1413 103.2863 3032.8663 0.0000 3040.1730 89.0385 3040.3651 0.0359 3042.8091 0.0286 3058.5321 0.0000 3072.2985 79.7413 3104.3482 0.0094 3105.2289 141.4173 3109.5371 70.3785 3109.5432 19.4376 > 14.58415 GHz 1.12535 GHz 1.08685 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$