NIST 07301415213D 1 1.00000 -2469.65330 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 30 0 0 0 0 0 0 0 0999 V2000 -3.3372 -1.4094 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7337 -0.7128 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 -1.6883 -1.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5401 -2.4510 -2.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -1.3529 -1.4495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 -0.3674 -0.2966 Zn 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 -1.2039 0.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4619 -0.6217 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 -1.4310 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 0.6667 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 1.5393 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 2.8964 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 1.2990 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -0.2211 1.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5121 -0.5004 2.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 -1.7635 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 -1.8408 -3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9912 -3.3577 -2.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5388 -2.7270 -1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -0.9062 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 -1.6814 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6671 -2.3784 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 1.0195 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 3.0675 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 2.9904 -2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 3.6765 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5157 -0.9307 2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 -0.9447 3.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 0.5740 2.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 1 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 6 1 0 0 0 0 14 2 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 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. > 2014-07-30 > 14024-63-6 > B3LYP/6-31G* > 0.0132 debye > -2469.65329571 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 33.9012 0.2170 35.8792 1.6262 36.9478 1.5169 72.8922 1.5305 84.8836 1.3792 88.0902 0.0637 98.3934 0.0026 129.4913 0.0042 147.6726 0.0102 155.5935 0.0737 157.7056 7.7361 158.2603 7.3613 165.9619 1.5391 167.0652 1.8684 243.4515 36.6651 258.8677 0.0364 282.3535 2.9749 282.9805 3.2201 283.4014 21.9193 412.2537 12.6615 412.4752 12.5796 456.6829 0.0631 474.0218 53.7939 569.8499 0.0048 570.3598 0.0014 581.4806 22.0897 582.0158 22.1577 675.9798 7.3916 676.1025 7.4270 679.1150 0.4168 681.7494 26.6735 804.7376 12.0737 806.6433 12.0541 952.0685 20.1970 952.2180 20.1702 959.0907 12.7565 959.8543 0.9137 1051.6725 5.5382 1051.9229 4.7701 1052.7622 46.0432 1054.4729 0.0328 1060.7490 18.8060 1060.7994 18.8358 1075.8963 0.0036 1075.9837 0.0005 1243.2391 15.9541 1244.3411 16.2835 1298.5650 106.4801 1301.6587 0.0170 1424.5110 14.4152 1425.0885 15.6557 1426.1910 2.9401 1426.6605 1.0956 1471.1227 362.3800 1471.2032 362.1901 1501.3944 0.2766 1501.5418 0.3636 1502.2327 11.8217 1502.3414 11.7634 1507.6567 147.0967 1508.2015 0.0293 1528.0066 52.7134 1528.1403 52.2899 1573.3196 425.2008 1574.1180 425.4089 1639.2188 1083.9571 1661.1560 0.0207 3059.1160 10.0069 3059.3079 13.0433 3059.3810 5.6673 3059.4313 1.1893 3118.9163 4.6276 3119.1062 4.3946 3119.2360 10.8310 3119.4027 11.0427 3153.2763 44.5125 3153.4912 16.2153 3153.5468 1.5311 3154.0596 9.3321 3220.8971 11.9025 3221.8095 9.6770 > 0.81648 GHz 0.29466 GHz 0.29442 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$