NIST 07011509153D 1 1.00000 -235.84027 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 18 18 0 0 1 0 0 0 0 0999 V2000 2.0137 2.6096 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 2.4485 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 2.4137 1.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0442 1.1550 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8077 0.8885 2.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 1.7723 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 3.5823 0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 3.3120 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 1.2466 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 0.2878 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 1.7316 3.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 0.7436 3.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 -0.0070 2.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 1.2267 2.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 3.3667 2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 1.0506 3.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 1.3532 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3306 0.3195 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 1 1 0 0 0 0 2 15 1 1 0 0 0 2 14 1 0 0 0 0 3 2 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 1 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 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. > 2015-07-01 > 19781-68-1 > B3LYP/6-31G* > 0.0583 debye > -235.840273918 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 95.8993 0.0083 168.0230 0.0699 211.7978 0.0029 235.2643 0.0175 281.4827 0.1226 356.2874 0.2119 423.1853 1.0773 515.1875 1.9614 746.6235 4.2613 770.9185 4.0663 817.6428 3.6412 864.3081 5.8042 911.5999 1.5607 940.2479 2.9485 1011.7687 2.7860 1031.3753 0.5433 1052.7879 3.7207 1084.5412 1.1801 1109.5071 1.5941 1140.1968 4.1625 1159.7609 0.7656 1211.4816 0.8044 1213.2363 0.6033 1256.7945 0.0607 1309.6894 0.2985 1359.4630 12.1536 1415.1497 2.2510 1438.9606 2.5998 1445.6838 0.4742 1453.8207 1.9533 1514.9151 1.1139 1522.3713 3.3757 1527.7931 3.7733 1529.8347 3.6034 1533.4909 0.4184 1542.5491 8.1851 3031.1410 40.0384 3040.5707 23.9984 3044.4791 30.2571 3067.5019 15.6112 3095.1552 37.9928 3107.7257 27.8525 3113.3079 23.0931 3116.2956 33.7265 3124.6955 38.5193 3132.1124 21.9796 3141.4232 44.6122 3210.4952 22.1636 > 5.20421 GHz 2.55711 GHz 2.00583 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$