NIST 07091401163D 1 1.00000 -314.48146 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 24 23 0 0 0 0 0 0 0 0999 V2000 0.8649 1.5719 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 2.2946 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 3.7918 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 4.1670 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8377 3.7173 -1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 4.4523 1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6937 0.0798 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 4.2946 1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 2.0875 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1278 1.7772 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 4.1914 -0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 3.7376 0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 5.2575 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8873 4.0152 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2801 4.1664 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 2.6298 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7912 4.0316 2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 5.5210 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -0.3608 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -0.1976 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 -0.3943 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 4.7787 2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 4.7505 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 3.2390 1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 2 3 1 0 3 6 1 0 1 2 2 0 1 7 1 0 3 4 1 0 6 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 4 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 8 24 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. > 2014-07-09 > 19781-63-6 > B3LYP/6-31G* > 0.1347 debye > -314.481457453 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 72.4647 0.0788 88.9528 0.0044 100.5452 0.0415 156.8271 0.0915 169.6374 0.1226 193.9679 0.0063 212.0515 1.3157 245.1964 0.7170 252.5165 0.8203 328.9051 1.2341 376.8631 0.4899 460.3206 0.1134 469.1997 0.1469 485.1578 0.7249 775.9411 0.0184 793.2712 7.5194 815.0119 0.4594 879.1195 0.7874 930.5340 8.0615 940.2690 1.8770 1010.2912 1.8777 1015.6793 24.1221 1036.7049 0.2958 1059.9439 5.0482 1064.7352 1.6443 1078.8264 0.3527 1099.1695 0.1710 1118.7917 3.0985 1177.5784 3.2776 1203.5877 0.2001 1275.8944 2.2442 1289.9703 1.8209 1323.0780 2.2644 1341.0938 1.7645 1343.5544 3.2445 1389.2629 2.3008 1392.0225 2.8664 1408.1107 1.9363 1438.6438 3.3027 1442.5231 2.8854 1443.5331 0.3618 1510.0640 4.8827 1512.7778 0.7801 1520.6507 6.0861 1524.6708 3.6263 1527.3457 4.2038 1528.4998 5.3503 1537.6179 2.9234 1539.2900 2.9766 1752.1739 2.5457 3006.1959 5.8034 3018.7984 0.7708 3026.7787 84.6198 3029.8397 34.4604 3044.4822 43.8084 3045.7528 10.8746 3052.2268 3.6212 3062.1789 59.8606 3075.0125 26.2167 3105.6012 5.0555 3106.8474 24.8780 3108.3837 74.6801 3113.0659 13.2341 3122.7625 13.9281 3123.8273 63.8126 3138.0956 45.8899 > 1.79929 GHz 1.49917 GHz 0.88297 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$