NIST 07291403233D 1 1.00000 -390.60335 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 28 0 0 0 0 0 0 0 0999 V2000 2.2584 2.1544 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 0.8116 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 0.8801 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8624 0.4284 1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 0.3632 -1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 0.5135 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 -0.7863 1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4473 0.5254 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 0.2174 1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 -0.9549 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 2.7446 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 2.7523 0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 0.6060 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 0.9008 2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 0.6507 -2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.7258 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 0.8235 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 0.8359 2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 -1.3358 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6269 -1.4207 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 0.7752 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 0.8786 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 0.5940 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 0.2697 0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 -1.6815 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -1.3895 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 1 3 1 0 3 2 1 0 2 4 1 0 2 5 1 0 3 6 1 0 4 9 1 0 9 10 1 0 4 10 1 0 6 7 1 0 7 8 1 0 6 8 1 0 1 11 1 0 1 12 1 0 3 13 1 0 4 14 1 0 5 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 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. > 2014-07-29 > 150895-65-1 > B3LYP/6-31G* > 0.0261 debye > -390.603351785 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 38.7150 0.0074 46.0882 0.1283 129.8226 0.0820 130.7443 0.0349 221.9573 0.0394 250.8938 0.3970 266.8243 0.4089 321.7799 0.1928 332.8146 0.3870 364.8341 0.4769 427.8480 0.1300 463.3289 0.2232 566.0162 0.6764 657.4383 0.2959 750.0280 0.0913 794.6929 0.5099 808.7569 0.1918 823.0987 3.3984 831.8259 2.1114 870.8332 17.0529 877.0082 21.4769 909.9873 11.9931 923.6165 7.1482 948.5811 1.0673 968.9264 2.2430 980.8891 0.5754 999.4297 4.8003 1049.1215 2.0461 1064.4199 4.9139 1067.1070 4.1379 1076.8120 1.8107 1078.5093 2.8302 1082.6753 1.9263 1088.4170 3.8233 1126.8210 4.6467 1132.4712 2.7755 1137.1510 0.3608 1151.3093 0.4201 1208.8652 0.4017 1213.1550 0.3117 1227.7699 0.6362 1233.5217 0.1937 1244.8055 2.0482 1288.1101 7.2057 1321.5195 4.6789 1360.4153 10.1372 1432.2609 1.6924 1448.9487 3.6890 1474.1326 1.0454 1492.8673 0.3328 1494.9690 0.9958 1515.5229 3.9921 1526.9757 4.2082 1535.2130 2.7004 1537.7442 3.0668 1540.4071 1.9891 3040.9030 34.0598 3099.5884 24.6624 3110.8593 18.6407 3119.6826 18.9633 3129.5779 18.8247 3139.0678 25.6442 3143.4910 20.6016 3145.6534 27.6893 3146.6253 18.4399 3152.1818 3.2790 3163.3993 16.9239 3207.7989 16.4672 3212.0623 0.5065 3217.8899 0.3940 3226.9797 28.4278 3232.4165 31.7475 > 2.15994 GHz 0.86276 GHz 0.73732 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$