%nprocshared=4 %mem=1GB %chk=H:\Topu\Mobius\mobious CH4 freq.chk # freq b3lyp/6-31g(d) geom=connectivity mobious 0 1 C 2.72094547 2.41123693 1.91355832 C 3.78001316 3.72416713 -0.44344546 C 0.63438320 3.39886441 1.66100123 C 1.25318490 4.52362572 -0.92879242 C -1.64537463 3.58988921 1.32532965 C -1.39172299 4.14453281 -1.49967283 C -3.58936535 2.59376051 -1.75478907 C -3.89152459 2.92632122 1.07465630 C -5.41030449 -1.61742510 1.44797277 C -4.32420053 -1.81121927 -1.23982062 C -3.25448865 -2.95019903 2.17677773 C -2.89619456 -3.56075746 -0.65423567 C -0.63030145 -2.25846688 1.71086972 C -0.74932206 -4.48224570 -0.20166150 C 3.91479481 -3.63161780 0.25135830 C 3.41800346 -1.87445285 -1.99101891 C 4.64687007 -1.55880146 1.06402190 C 5.71267065 -0.71226330 -1.51644275 C 4.18174521 0.61440732 1.70426156 C 5.60472559 1.76504177 -0.54112441 C 1.64512937 -4.40361332 -0.11004741 C 1.18562977 -1.47619917 -0.31865847 C -4.67637004 0.46795318 -1.69257183 C -5.62721382 0.96257368 0.99796199 H -0.78321525 -5.46488859 -0.66213369 H -2.77172706 -3.84283945 -1.69707644 H -3.92329337 -1.91064812 -2.24308229 H 1.80748139 -5.46266420 0.04544993 H -3.41836170 -2.72470693 3.23018680 H -5.84316243 -1.53965836 2.44507869 H -0.57444977 -1.46864814 2.46064254 H -1.77040597 3.39361513 2.38632087 H -3.98925611 3.06529895 2.15076980 H 0.36955057 2.96270382 2.61896191 H 2.30586256 1.89996117 2.77553425 H 3.68090830 0.17046617 2.55874279 H 4.27509394 -1.88746731 2.03226226 H 4.35884885 -4.55341559 0.60906176 H -3.45251931 2.42457469 -2.82314266 H -1.27880496 4.37409101 -2.55979712 H 1.51622749 4.98260759 -1.88250782 H 4.21112717 4.25850191 -1.29036601 H 6.14083220 2.21566259 -1.37630994 H -6.05426542 1.15588743 1.98152480 H 0.97661791 -0.41665450 -0.46351165 H 3.23014011 -1.28921299 -2.89031240 H -4.30856038 0.28857242 -2.69724010 H 6.02592200 -0.34053640 -2.49148839 B -2.61573411 3.47318025 -0.98378865 B -0.18664813 4.24704060 -0.61487912 B 2.34939579 3.94929298 -0.09487717 B 4.51200457 2.53757262 0.10463653 B 5.59971671 0.27548962 -0.38934315 B 4.77333310 -1.86737308 -1.35434604 B 2.32787119 -2.15501706 -0.97232407 B 0.32231795 -2.34196901 0.56689094 B -1.88121628 -3.06029428 1.57034617 B -4.30489434 -2.59582783 1.18380360 B -5.47386878 -0.44379934 0.53071211 B -4.73812301 1.95608282 0.32186348 N 2.67034049 -3.51170396 -0.15818006 N 0.38644761 -3.85337950 0.02407346 N 4.71025737 -2.44334458 0.07577986 N -1.92610715 -3.84510227 0.22008387 N -3.91970178 -2.74929812 -0.30201218 N -4.82005788 -0.63288875 -0.86427839 N -4.34072787 1.65820879 -1.11631893 N -2.71468556 3.38956896 0.52934353 N -0.40174521 3.78579392 0.84547505 N 1.88954857 3.24573881 1.21999225 N 3.79915175 1.82911497 1.30012568 N 4.88420714 -0.23630253 0.87567880 C -0.93478266 -0.13332474 -3.47140074 H -0.23088640 0.09629745 -4.27595858 H -0.45271049 -0.79247258 -2.74398255 H -1.23309323 0.79480944 -2.97594408 H -1.81474504 -0.62669537 -3.89802054 1 35 1.0 70 1.5 71 2.0 2 42 1.0 51 1.5 52 2.0 3 34 1.0 69 1.5 70 1.5 4 41 1.0 50 1.5 51 1.5 5 32 1.0 68 2.0 69 1.5 6 40 1.0 49 2.0 50 1.5 7 39 1.0 49 1.5 67 1.5 8 33 1.0 60 1.5 68 1.5 9 30 1.0 58 1.5 59 2.0 10 27 1.0 65 1.5 66 2.0 11 29 1.0 57 1.5 58 1.5 12 26 1.0 64 1.5 65 1.5 13 31 1.0 56 2.0 57 1.5 14 25 1.0 62 2.0 64 1.5 15 38 1.0 61 2.0 63 1.5 16 46 1.0 54 1.5 55 2.0 17 37 1.0 63 1.5 72 1.5 18 48 1.0 53 1.5 54 1.5 19 36 1.0 71 1.5 72 1.5 20 43 1.0 52 1.5 53 1.5 21 28 1.0 61 1.5 62 1.5 22 45 1.0 55 1.5 56 1.5 23 47 1.0 66 1.5 67 1.5 24 44 1.0 59 1.5 60 1.5 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 75 0.1 46 47 48 49 68 1.5 50 69 1.5 51 70 1.5 52 71 1.5 53 72 1.5 54 63 1.5 55 61 1.5 56 62 1.5 57 64 1.5 58 65 1.5 59 66 1.5 60 67 1.5 61 62 63 64 65 66 67 68 69 70 71 72 73 74 1.0 75 1.0 76 1.0 77 1.0 74 75 76 77