NIST 07011511093D 1 1.00000 -350.19327 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 21 21 0 0 0 0 0 0 0 0999 V2000 1.0718 0.9791 0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6537 1.8619 2.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 1.3634 3.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 1.9767 1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9986 0.8533 2.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 3.2160 1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3856 0.9663 2.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1655 3.3358 1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 2.2098 1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4267 -0.0551 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3608 1.3518 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 0.9599 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2451 2.8730 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 1.3443 3.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 2.0115 4.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 0.3470 3.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -0.1230 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 4.1004 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0072 0.0816 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6118 4.3097 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0566 2.2984 1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 5 17 1 0 0 0 0 6 8 2 0 0 0 0 6 18 1 0 0 0 0 7 5 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 7 2 0 0 0 0 9 21 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 > 98-82-8 > B3LYP/6-31G* > 0.2698 debye > -350.193268700 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 41.8337 0.0029 128.0982 0.3351 210.7582 0.0494 232.0771 0.0016 264.8221 0.1305 306.5980 0.0901 320.2313 0.3200 417.2218 0.0223 464.2265 0.3641 549.9675 9.0222 567.2817 0.2040 635.9564 0.0105 715.9945 26.3435 753.7283 1.1886 779.8427 22.3565 859.4009 0.0089 903.0707 0.9336 923.0594 1.3521 940.7855 0.9677 964.7789 0.0109 972.5138 0.0342 992.7990 0.1453 1017.5146 0.1510 1056.2983 7.4446 1081.0138 6.4618 1117.5579 6.7918 1131.2784 0.7976 1184.2253 0.4186 1192.3284 0.1214 1215.7641 0.0406 1242.3675 1.0851 1324.6078 5.0023 1363.0640 3.0054 1365.5713 0.6788 1400.1759 4.0259 1425.9250 2.4811 1446.8913 2.1421 1502.3358 6.9975 1517.5792 0.0083 1520.6347 2.2056 1532.1365 7.9033 1536.3605 1.4694 1549.0015 12.8041 1643.4057 1.0070 1664.7769 4.7904 3030.4700 17.2855 3042.9753 26.6516 3047.1951 30.0004 3106.5067 0.7714 3112.7994 80.6739 3118.9864 25.0136 3120.7075 32.6198 3171.3926 10.0730 3176.2004 3.4917 3186.5774 10.7803 3194.7205 48.6025 3206.8425 21.8226 > 3.34209 GHz 1.07217 GHz 0.98606 GHz > Gaussian 09, Revision D.01 > Ashley Zhang $$$$