NIST 08031412443D 1 1.00000 -804.76523 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 25 24 0 0 0 0 0 0 0 0999 V2000 16.7455 9.3817 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0795 8.8806 -0.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8386 10.8627 0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8723 9.1089 -1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0365 8.2477 0.7377 P 0 0 0 0 0 0 0 0 0 0 0 0 18.3174 7.6882 1.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9899 7.2868 -0.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4658 6.0691 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2628 5.8667 -2.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5834 4.9136 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3794 8.8140 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8427 11.2641 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4654 11.0193 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2656 11.4310 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8475 9.4481 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8454 8.0381 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2574 9.6379 -2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9812 9.2436 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4128 6.2440 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9138 4.9702 -2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1500 6.7274 -2.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3268 5.7415 -1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1949 3.9923 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0172 5.1283 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6325 4.7508 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 3 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 10 25 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. > 2014-08-03 > 1809-20-7 > B3LYP/6-31G* > 2.5511 debye > -804.765230318 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 21.8561 0.2744 35.2374 0.6280 42.6199 0.5203 66.3916 2.7725 142.3745 8.9369 164.0884 3.0005 227.8316 0.0924 229.7731 0.0235 247.4772 3.0578 261.1755 1.3568 280.9390 4.8608 325.0181 0.6233 352.5467 4.6802 382.1386 1.3434 420.7289 11.3692 435.8355 4.4198 479.0703 11.3988 499.8675 12.9882 550.5253 38.5548 728.3125 8.2798 757.8912 19.7608 887.3160 12.9144 900.6815 16.7271 946.6050 0.9033 950.8621 0.2899 958.0089 39.9316 959.0508 4.8544 975.8598 764.2080 996.7745 143.1488 1023.8672 55.6836 1080.9831 17.2854 1149.8064 33.5990 1153.5875 58.9612 1170.4288 11.7660 1171.2992 7.0529 1213.2841 13.2686 1217.6020 15.7275 1281.2342 189.5750 1385.1569 9.8175 1395.9008 4.0201 1400.5916 12.2301 1405.2022 6.9746 1432.2108 12.9890 1435.4575 15.5738 1446.6617 13.6388 1447.8771 13.1470 1510.6617 1.2820 1512.4251 1.4013 1514.9834 0.0141 1518.5638 0.5295 1522.5924 3.0819 1525.3280 4.5872 1537.0185 4.9935 1541.2403 6.5637 2542.9031 116.8423 3052.5364 16.4732 3055.0070 10.5859 3058.4104 11.1456 3060.0321 15.4457 3061.7312 19.3556 3090.8087 1.6241 3122.1974 2.8383 3122.6528 8.1578 3126.4328 17.4146 3131.0808 45.0245 3132.9181 37.8257 3136.0306 37.6600 3139.4566 22.7775 3150.3446 11.2777 > 1.85283 GHz 0.64505 GHz 0.56530 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$