NIST 06301516403D 1 1.00000 -193.46232 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 10 10 0 0 0 0 0 0 0 0999 V2000 3.2871 2.0406 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 1.0706 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 3.3166 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 1.7661 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 3.1801 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 1.7808 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2999 -0.0010 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 4.2434 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 1.3673 0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 3.9887 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 3 1 0 0 0 0 5 10 1 0 0 0 0 M RAD 1 5 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. > 2015-06-30 > 2143-53-5 > B3LYP/6-31G* > 0.0449 debye > -193.462323817 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 15.4580 4.6763 495.4213 9.5354 527.0352 0.3452 686.8384 74.5269 719.5287 1.1726 818.9551 0.3319 844.7419 0.2908 880.3285 5.6473 900.0568 0.0819 928.6333 2.6156 972.6293 1.0919 1052.0980 6.7815 1093.3322 9.0457 1152.5360 0.0024 1227.9415 1.5213 1311.0063 0.0122 1415.3369 32.4545 1478.4804 6.5056 1587.4427 0.6340 3224.0161 5.0792 3226.4524 5.9654 3240.2260 22.1743 3256.1613 15.0323 3263.6679 0.0248 > 9.27365 GHz 8.48907 GHz 4.43202 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$