Decane, 1,1-dimethoxy- NIST 07071307253D 1 1.00000 -623.37820 Copyright by the U.S. Sec. Commerce on behalf of U.S.A. All rights reserved. 40 39 0 0 0 0 0 0 0 0999 V2000 155.1461 9.5739 0.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 154.4363 10.7807 0.0353 O 0 0 0 0 0 0 0 0 0 0 0 0 156.4607 9.8417 0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 154.4773 8.8021 1.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 153.9965 10.9792 -1.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 157.2531 10.5188 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 148.1683 5.2095 3.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 148.8300 5.9839 2.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 146.7181 4.8016 3.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 150.2781 6.3971 3.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 150.9393 7.1713 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 152.3838 7.5934 2.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 153.0425 8.3686 1.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 146.0647 4.0291 4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 155.1656 8.9778 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 155.1018 7.9291 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 154.4926 9.4478 2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 153.5376 11.9712 -1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 154.8263 10.9506 -2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 153.2451 10.2352 -1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 158.2592 10.5950 0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 157.3049 9.9594 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 156.8706 11.5270 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 148.7603 4.3085 4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 148.1961 5.8203 4.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 148.2348 6.8823 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 148.8047 5.3712 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 146.1264 5.7020 3.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 146.6900 4.1910 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 150.8738 5.4993 3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 150.3026 7.0107 4.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 150.3406 8.0661 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 150.9207 6.5555 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 152.9839 6.7001 2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 152.4013 8.2113 3.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 152.4446 9.2598 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 153.0347 7.7443 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 145.0308 3.7536 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 146.6135 3.1047 5.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 146.0466 4.6273 5.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 1 4 1 0 2 5 1 0 3 6 1 0 4 13 1 0 7 8 1 0 7 9 1 0 8 10 1 0 9 14 1 0 10 11 1 0 11 12 1 0 12 13 1 0 1 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 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. > 2013-07-07 > 7779-41-1 > Decane, 1,1-dimethoxy- Decanal, dimethyl acetal 1,1-Dimethoxydecane Nsc 46132 > B3LYP/6-31G* > 1.9472 debye > -623.378201132 hartree > "Frequency (cm-1)" "Intensity (km/mol)" 22.5296 0.0902 35.1870 0.3316 37.8866 0.1539 59.3230 0.2361 61.3084 2.4192 83.5294 0.2441 101.1182 0.2874 106.1705 1.2079 128.8470 0.6675 137.2409 2.5823 154.2402 0.3607 163.2158 0.2944 170.1255 2.9391 179.9775 0.3409 183.7976 0.3754 228.7962 2.6607 251.1320 0.0032 267.5353 3.1994 315.5117 5.0165 354.3341 0.2963 355.8821 2.1091 401.6580 0.0459 480.5161 0.2741 491.6073 0.8260 559.9304 5.1531 584.8560 4.3686 737.8064 5.3027 740.2144 0.0324 751.0825 0.4644 777.5073 2.1440 821.1281 3.9275 875.2634 17.3435 905.0633 1.9956 930.1981 13.9608 981.3979 31.5154 993.3840 7.0745 998.9297 1.0931 1026.5293 8.9200 1039.1107 4.8409 1052.2958 2.8586 1063.0141 2.0029 1073.4757 2.0151 1074.1531 0.2311 1079.9684 5.3342 1100.6580 4.9168 1122.6256 188.6658 1149.2582 64.5109 1152.7634 26.0941 1184.7169 5.4208 1188.9691 9.1317 1190.1588 121.4060 1220.1817 26.7273 1225.8328 10.6371 1238.2480 12.2315 1251.2006 5.0384 1268.3422 2.3412 1284.9863 7.0998 1301.3329 1.8311 1323.0145 2.6442 1328.4242 0.8551 1339.6596 0.9954 1343.4454 1.8828 1351.4616 0.2113 1353.2814 0.6898 1360.3078 1.9567 1389.4166 20.3215 1412.0124 10.3673 1425.0941 9.9439 1426.5644 1.2430 1429.7422 15.0142 1434.0207 35.4708 1442.5258 1.1321 1497.5059 1.5723 1504.7563 1.7489 1508.5022 1.7343 1513.1734 0.1430 1513.5146 0.3368 1516.3003 2.1888 1516.8139 1.2181 1519.1029 0.5070 1522.1484 1.6379 1527.0714 1.3340 1530.2977 5.7281 1534.5890 0.3085 1537.2709 3.5336 1541.2609 1.7617 1544.9775 2.3295 1546.0822 8.3113 2941.8435 40.8768 2996.6535 41.8407 3009.0376 20.1986 3009.5640 27.2014 3010.4590 4.7818 3012.5703 11.4434 3013.9957 15.7302 3017.6893 4.4234 3024.0342 32.7716 3028.4132 155.3306 3030.3308 6.0914 3032.9415 4.3959 3040.2216 2.0188 3041.0345 43.8111 3050.0355 2.2467 3053.2710 27.4969 3059.6034 62.2376 3061.4825 7.2828 3070.5680 27.5100 3076.7827 107.1334 3077.3094 81.1594 3100.1029 61.0581 3105.5168 71.5427 3110.0875 45.5198 3134.6129 33.4269 3141.3356 30.9284 > 2.56424 GHz 0.12634 GHz 0.12213 GHz > Gaussian 09, Revision D.01 > Michael Liou $$$$