NIST 07281407113D 1 1.00000 -2391.93535 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 29 28 0 0 0 0 0 0 0 0999 V2000 9.8987 30.2334 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8461 30.1310 -0.1202 Ge 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 28.2472 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7294 31.0273 -1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3786 31.0630 1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3803 31.6670 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4698 27.2922 0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 30.8939 -1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 30.6300 2.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4185 29.7528 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 29.6266 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4169 28.2211 0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 27.9206 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4436 32.0865 -1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3095 30.6129 -2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4565 30.9056 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2418 32.1369 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 31.7053 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8049 32.1365 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6585 32.2960 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8446 26.2604 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4777 27.2807 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3302 27.5892 1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 31.4058 -2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5681 29.8428 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6917 31.3227 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9247 31.2127 3.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5415 30.7488 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8105 29.5742 3.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 6 1 0 2 3 1 0 2 4 1 0 2 5 1 0 3 7 1 0 4 8 1 0 5 9 1 0 1 10 1 0 1 11 1 0 3 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 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. > 2014-07-28 > 597-63-7 > B3LYP/6-31G* > 0.0510 debye > -2391.93535168 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 39.2394 0.0030 56.4821 0.0077 68.1196 0.0066 75.9517 0.0259 109.7463 0.1371 118.8277 0.1918 131.0477 0.5951 140.5645 0.6846 166.2331 0.3050 212.7523 0.3693 224.3372 0.0232 240.2978 0.2688 269.0128 0.3977 275.2839 0.4375 282.9425 1.4310 307.7763 4.9325 324.5054 7.6515 530.3334 0.6435 576.3766 19.3370 584.1007 22.2683 591.2622 29.8021 665.7545 3.7017 698.9774 17.1484 717.8118 45.5617 727.5987 21.1101 972.0884 0.1255 981.2290 1.0808 983.5762 0.6557 987.9154 0.7569 990.9050 0.6306 995.2043 2.3590 1007.3713 11.7693 1019.9502 7.7871 1041.5361 1.8279 1047.9417 10.9157 1056.5554 25.7894 1059.0162 21.5623 1274.6135 1.1645 1278.7521 0.1981 1283.2972 1.2051 1286.5258 1.4258 1294.8519 0.6460 1296.6432 1.1131 1297.6307 2.4800 1304.2169 1.7695 1436.3252 1.3165 1443.0184 0.7315 1443.3924 1.3152 1444.6179 1.6085 1499.5006 0.7624 1504.6622 1.1848 1505.8371 3.6261 1513.1964 1.5742 1527.9489 2.2347 1532.3743 3.5949 1533.0977 2.9854 1534.3180 1.9597 1538.0183 1.2977 1541.2002 3.9226 1542.1151 9.2838 1544.5676 2.1158 3034.8446 8.1691 3035.6581 37.9419 3035.9649 46.6370 3036.7402 41.4560 3037.4591 56.9574 3038.8559 13.1404 3040.3496 49.5648 3041.9554 1.2268 3075.2090 1.4637 3077.9286 3.3069 3078.6554 8.6192 3079.9333 6.9678 3092.7511 60.9121 3093.6009 40.4039 3093.7034 40.5324 3095.8557 40.1336 3107.5570 36.4815 3108.8068 73.4904 3109.6972 25.5605 3113.3984 52.7164 > 1.07271 GHz 0.98024 GHz 0.83881 GHz > Gaussian 09, Revision D.01 > Ethan Ho $$$$