NIST 07191418283D 1 1.00000 -613.06280 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 27 29 0 0 0 0 0 0 0 0999 V2000 -1.1986 -0.8462 0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 0.3038 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -1.2057 0.3199 Rh 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 1.5246 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 0.2919 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 1.7156 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 0.8094 -0.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 3.1134 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 -1.5397 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9296 -1.3513 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 -3.2564 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5341 -3.0637 1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 2.4076 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -0.1230 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6844 1.2874 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -0.3684 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0886 3.8626 -0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 3.3800 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 3.1316 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 -2.5308 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7067 -0.7144 -1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -2.1924 1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -0.3775 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 -3.2346 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 -3.7762 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 -2.8892 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 -3.4310 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 6 2 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 3 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 9 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 3 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 11 1 0 0 0 0 12 26 1 0 0 0 0 12 27 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. > 2014-07-19 > 12082-47-2 > B3LYP/GENECP > 1.3630 debye > -613.062797593 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 53.0056 0.0018 74.7620 0.6574 81.2570 4.3336 91.0618 0.5131 95.4501 0.0246 147.6259 2.7465 151.3918 0.0372 173.3126 0.0028 193.2535 1.4982 214.1124 5.5199 222.2680 0.1005 258.9310 0.0815 272.2699 0.4264 278.0944 0.8955 382.2182 25.9232 386.1447 4.8793 434.3752 0.9276 446.0315 20.5723 471.1728 0.0087 497.1412 1.8553 563.7414 0.0000 612.3757 16.9361 681.4168 10.9281 685.6390 3.2617 694.4806 0.9281 732.8116 1.0669 800.4706 14.9614 829.1560 0.2128 837.5116 0.0278 954.3394 8.8603 960.9299 2.7414 966.7986 4.6673 969.9994 0.6013 974.3562 1.4468 989.5970 0.0004 1010.3441 15.8057 1016.8141 0.4081 1055.1689 1.4245 1057.3442 13.2184 1060.4646 16.2007 1075.1687 0.0021 1234.5437 0.0054 1241.5612 0.0047 1243.5938 15.7179 1264.9319 14.5685 1277.1847 18.8379 1298.4239 54.1620 1425.0406 9.0632 1426.4275 1.1737 1452.8720 201.9773 1485.3972 0.0892 1498.4400 5.6099 1502.1824 1.7185 1503.2819 13.0699 1506.4753 70.2736 1521.0966 1.8661 1571.5838 272.5454 1574.5845 27.7213 1584.7108 8.5855 1626.6831 452.9257 3059.3306 11.3010 3059.6478 6.9537 3119.2690 2.6068 3119.3895 12.4011 3142.5470 0.4620 3145.3360 29.0397 3149.4546 2.4085 3151.1628 9.5385 3152.0258 21.9697 3152.8551 11.5735 3212.6967 0.0147 3215.1624 0.9558 3218.8840 15.1885 3233.8221 6.3666 3239.2775 35.4457 > 1.04582 GHz 0.62937 GHz 0.41846 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$