NIST 08031215023D 1 1.00000 -775.30809 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 25 0 0 0 0 0 0 0 0999 V2000 0.6073 -0.0433 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 0.7353 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 -0.2021 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 0.5551 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6834 -0.3794 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0551 0.3239 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 1.2223 1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8401 1.0622 -0.1344 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1834 -0.7096 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -0.6681 -0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 -0.6749 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 1.3839 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9766 1.3941 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1195 -0.8574 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0575 -0.8654 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 1.2169 0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 1.2111 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6231 -1.0748 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6296 -1.0033 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 0.9626 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2832 1.6944 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 2.0235 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 0.6366 2.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -0.2221 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0519 -1.3311 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 -1.3787 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 2 3 1 0 5 6 1 0 1 2 1 0 6 7 1 0 3 4 1 0 1 8 1 0 6 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 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. > 2012-08-03 > 2350-20-1 > B3LYP/6-31G* > 2.5201 debye > -775.308093247 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.4767 1.2737 53.1260 0.2679 65.4099 0.7777 104.2004 0.7575 131.5847 0.0916 161.0806 0.3182 180.0446 1.4796 214.4584 0.3991 226.4705 0.0163 250.4533 0.0747 328.0943 1.8518 365.9215 1.8267 413.7729 0.8328 461.2656 3.1947 483.6342 0.2357 732.3349 52.6612 743.8572 3.7783 763.5917 0.3640 818.2067 0.8093 840.4518 0.3512 935.6799 1.3115 937.2099 0.8089 960.1662 0.2836 975.0765 0.2385 1020.0356 7.3252 1035.9331 0.2802 1051.2280 0.2439 1068.2991 0.1986 1079.2112 1.4004 1125.1030 0.9331 1157.7460 0.2899 1203.4850 4.9590 1222.5659 0.4307 1255.3056 7.3501 1276.5088 1.5319 1307.2773 7.8636 1325.1246 2.0133 1345.2753 2.9133 1350.5068 11.8341 1353.6057 6.6471 1382.6244 4.6891 1391.2609 4.5609 1414.3519 7.3206 1424.3353 0.5831 1430.4672 4.9044 1448.6383 3.1603 1509.3761 0.3032 1515.5079 0.3532 1518.2208 0.6271 1520.6291 0.6047 1524.0831 1.8141 1528.7516 0.5378 1534.0827 3.4952 1539.6461 3.2162 1542.5298 9.4539 3003.2979 6.5081 3010.5375 15.2282 3018.1184 3.7760 3027.3326 54.6760 3035.3180 34.2443 3040.7643 34.0453 3042.0331 6.2098 3047.6860 0.9025 3054.5381 23.7384 3075.7843 50.6424 3096.4455 37.4535 3097.9334 9.4397 3098.8653 25.8915 3103.9602 74.4145 3108.8099 50.9689 3116.3596 44.1987 3157.1769 19.6801 > 5.20066 GHz 0.30530 GHz 0.29511 GHz > Gaussian 09, Revision C.01 > Alexander Yang $$$$