NIST 06301522093D 1 1.00000 -351.60071 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 4.7508 3.5053 2.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 2.9025 1.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.8990 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9437 2.7366 2.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 3.4170 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9517 1.6011 3.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 2.2167 1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 0.8703 3.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 2.6478 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 1.9643 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 4.1323 2.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 4.8323 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7483 3.4450 2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 2.3355 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 3.1723 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5466 4.2543 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1525 0.8841 3.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 2.0275 4.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 1.9671 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1714 1.3202 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 2.4323 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5379 0.4190 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1152 1.5556 3.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 0.0679 4.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 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. > 2015-06-30 > 3073-92-5 > B3LYP/6-31G* > 1.1168 debye > -351.600714151 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 31.0910 0.1965 53.2015 0.0251 74.7478 0.0204 103.2494 1.1498 137.0831 0.9219 185.1989 0.8825 240.4127 0.0471 259.9488 1.3254 277.1137 1.8611 301.6568 1.7584 362.7160 2.4902 459.4368 1.4425 540.2071 3.7526 761.8813 3.9945 763.9539 2.8070 815.0065 0.6817 886.8748 4.4818 897.9686 4.9252 899.2894 0.2875 973.8155 0.6323 988.9267 18.3133 1007.3518 4.1202 1044.3714 1.6149 1087.0911 1.3835 1131.2251 16.7050 1145.5692 0.4122 1154.0423 207.6700 1189.8093 8.1109 1219.2515 16.4653 1257.5041 2.8784 1300.2337 6.2885 1309.8470 2.2181 1330.5680 0.4567 1343.2620 10.4408 1351.6698 0.8919 1372.1278 3.2566 1395.6193 6.7697 1432.4889 25.7654 1440.9266 7.1514 1444.6133 3.4523 1459.0426 1.0218 1516.7531 0.3786 1518.5233 1.5871 1521.7422 0.9225 1526.3279 1.2740 1531.7887 4.9625 1533.5815 6.2352 1538.2622 5.5263 1541.6331 4.0021 1558.4869 3.0059 2964.0216 28.0320 2978.6638 77.3600 3018.2497 26.9534 3029.8088 26.3325 3042.0521 23.1261 3043.3023 22.2121 3045.6571 13.3230 3047.7267 47.4802 3066.4992 30.5819 3067.7660 18.1707 3085.2960 20.1636 3086.9006 53.8421 3109.3180 34.2913 3109.9981 94.6273 3114.9512 54.4516 3117.6527 37.0990 > 4.67041 GHz 0.68316 GHz 0.62481 GHz > Gaussian 09, Revision D.01 > Avi Newman $$$$