Tricyclo[3.3.1.13,7]decane, 1-fluoro- NIST 11121313213D 1 1.00000 -489.96604 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 26 28 0 0 0 0 0 0 0 0999 V2000 42.0117 29.0111 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4665 29.0077 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5243 27.5543 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5248 29.7372 1.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9743 28.2821 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4674 26.8313 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5681 28.2819 1.2436 F 0 0 0 0 0 0 0 0 0 0 0 0 40.4666 29.0078 2.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0123 26.8243 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5244 27.5543 2.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0117 29.0111 2.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3716 29.5292 -0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0730 30.0323 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0737 28.5004 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 42.1811 27.0326 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6224 27.5421 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6230 29.7607 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 42.1831 30.7814 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0734 26.3138 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0734 26.3138 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0731 30.0323 2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0737 28.5005 3.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3718 25.7873 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 42.1812 27.0327 3.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6225 27.5421 2.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3717 29.5292 3.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 4 1 1 0 2 5 1 0 3 9 1 0 11 4 1 0 5 6 1 0 5 7 1 0 8 5 1 0 6 9 1 0 8 11 1 0 9 10 1 0 10 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 6 19 1 0 6 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 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. > 2013-11-12 > 768-92-3 > Tricyclo[3.3.1.13,7]decane, 1-fluoro- Adamantane, 1-fluoro- 1-Adamantyl fluoride 1-Fluoroadamantane > B3LYP/6-31G* > 1.9692 debye > -489.966035927 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 264.5172 1.5808 265.1580 1.6373 309.9996 0.0000 386.0718 1.6764 388.0004 1.6810 400.8203 0.1176 400.9007 0.1190 420.0054 0.9435 459.9318 1.1181 464.0742 1.0444 544.7200 6.9571 650.4572 0.1479 652.8512 0.1453 731.6106 0.3919 776.8082 0.3958 816.0643 0.9688 817.8013 0.9777 905.2098 0.2296 905.5138 0.2084 915.9383 0.0008 940.1090 21.3678 940.8253 2.4702 942.5337 0.9960 991.8460 15.7643 1000.7185 0.0583 1002.2258 0.0425 1049.3864 0.0000 1054.4660 0.7671 1055.2224 0.7765 1112.3727 33.4204 1122.2593 0.0095 1128.6403 3.9935 1130.2230 4.0429 1140.2697 0.0072 1151.7020 39.0021 1213.8643 1.7127 1213.8740 1.7139 1305.6443 2.4304 1306.0678 2.3205 1317.6760 0.0195 1322.9764 0.9564 1323.4802 1.1051 1347.1544 16.0874 1360.0515 2.2833 1360.1597 2.3125 1364.5853 0.0001 1393.3811 0.9122 1395.3790 0.8882 1405.0245 8.7366 1413.4085 0.2915 1413.6766 0.2766 1508.7390 0.0533 1509.0177 0.0090 1520.8673 8.7002 1521.8134 8.6570 1526.5446 3.9872 1549.3623 0.0941 3028.3181 16.9163 3029.1954 16.6486 3029.6073 11.7820 3038.4893 0.9244 3038.9222 0.7924 3044.3581 65.6115 3053.3078 120.0998 3053.3489 121.0592 3062.5803 5.4853 3065.1575 11.7868 3066.2917 10.0167 3072.4645 96.5195 3079.3790 0.0181 3086.4037 61.6477 3086.4587 62.4330 > 1.67921 GHz 1.15260 GHz 1.15245 GHz > Gaussian 09, Revision D.01 > Katherine Hafner $$$$