NIST 06211411193D 1 1.00000 -5453.09677 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 6.3266 1.8345 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 3.3313 -1.0648 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.9032 0.6016 -0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 2.0211 -0.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3935 0.3878 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0165 -0.4456 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0617 0.9739 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 -0.2590 -0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 1.1877 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 -1.7558 0.2914 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5532 2.9976 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8621 0.6040 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8606 1.0558 0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6288 -0.6442 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 -1.4221 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.5197 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 0.9715 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 2.2197 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 5 1 0 7 9 1 0 8 10 1 0 1 3 1 0 3 6 2 0 6 8 1 0 8 7 2 0 7 4 1 0 1 4 2 0 4 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 6 15 1 0 9 16 1 0 9 17 1 0 9 18 1 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. > 2014-06-21 > 1074-24-4 > B3LYP/6-31G* > 0.0000 debye > -5453.09676635 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 69.3889 0.5069 139.6644 1.4972 150.2937 0.0000 161.1773 0.1604 166.5495 0.3908 211.7447 0.0000 213.1151 0.0000 235.2345 0.0000 272.0167 3.9267 343.3626 0.0000 440.2198 10.2849 463.5101 4.5036 466.2141 0.0000 507.6928 0.0000 612.9789 0.0415 704.6721 0.0000 739.5017 0.0000 762.6562 24.4053 911.9214 15.6650 915.8806 0.0000 918.7073 0.0000 1016.8185 30.9528 1053.3351 0.0000 1068.8002 110.9763 1077.4541 0.0000 1080.9812 6.6936 1225.6571 2.1367 1252.6442 0.0000 1301.0188 0.0000 1326.7692 3.2829 1389.7927 18.0353 1446.4649 0.0000 1446.7105 1.1102 1509.0107 0.0000 1511.7140 0.0000 1512.0937 16.4024 1519.1723 40.4147 1525.2951 45.8862 1592.3528 0.0000 1648.0128 0.0000 3053.9157 32.2459 3053.9720 0.0033 3109.3552 0.0018 3109.4604 20.0726 3138.6152 0.0000 3138.6405 32.2730 3213.5264 4.8085 3215.2008 0.0000 > 1.75482 GHz 0.27233 GHz 0.23644 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$