%nprocshared=4 %mem=1GB %chk=H:\Topu\Mobius\mobious H2S freq.chk # freq b3lyp/6-31g(d) geom=connectivity Sensor 0 1 C 2.97931388 2.32464672 1.93988244 C 4.07174208 3.56170688 -0.44277134 C 0.92798482 3.38780811 1.68637666 C 1.57892623 4.45889165 -0.91990876 C -1.34394620 3.67381182 1.35713387 C -1.08061960 4.17906346 -1.47626621 C -3.37433455 2.76490215 -1.70186280 C -3.62464570 3.13228181 1.12772899 C -5.51054976 -1.28721712 1.52981967 C -4.40237803 -1.55499045 -1.14776578 C -3.47677744 -2.78087537 2.28416924 C -3.09331033 -3.37925727 -0.54573360 C -0.80857013 -2.25159111 1.90495179 C -1.00243296 -4.40068826 -0.08247880 C 3.70644473 -3.76706911 0.28262553 C 3.17268468 -1.92531749 -1.89047859 C 4.63244354 -1.75530598 1.07146313 C 5.60443375 -0.96807864 -1.56828255 C 4.32908748 0.44431793 1.71049434 C 5.76539862 1.49425275 -0.57622295 C 1.39152568 -4.42340972 -0.00123634 C 1.05212822 -1.47206974 -0.07851363 C -4.62400095 0.73084729 -1.62104406 C -5.50854646 1.30465277 1.07584507 H -1.07449232 -5.36216354 -0.58146555 H -2.96190488 -3.65116857 -1.58986731 H -3.98231781 -1.67393681 -2.14015993 H 1.51231794 -5.49355413 0.10881289 H -3.64800218 -2.55530187 3.33637087 H -5.94273523 -1.17686102 2.52411229 H -0.72668184 -1.49148349 2.68249827 H -1.47300073 3.49651808 2.42106862 H -3.70500735 3.28715755 2.20317363 H 0.65051212 2.97388065 2.65058152 H 2.55369463 1.84240258 2.81350282 H 3.82654553 0.03655369 2.58201896 H 4.30491164 -2.06661891 2.06138626 H 4.12329386 -4.72162624 0.58200641 H -3.26640698 2.58584020 -2.77226233 H -0.96312018 4.39446515 -2.53895433 H 1.85559222 4.89668489 -1.87964795 H 4.51732872 4.06998737 -1.29809193 H 6.30433411 1.90751076 -1.42856151 H -5.91181715 1.53648850 2.06113123 H 0.91650648 -0.39180388 -0.13454619 H 2.96111578 -1.30815062 -2.76275218 H -4.28297729 0.51468359 -2.62736017 H 5.89737124 -0.61523304 -2.55641262 B -2.33693489 3.58071163 -0.94665591 B 0.13159269 4.24028516 -0.59825204 B 2.65545735 3.85122879 -0.08396895 B 4.74438914 2.33823130 0.09828772 B 5.64857882 0.00897041 -0.42728416 B 4.56557046 -2.02694815 -1.35626075 B 2.13531432 -2.17534837 -0.81112750 B 0.15715704 -2.33944966 0.77027481 B -2.09913299 -2.97411639 1.70967415 B -4.48054256 -2.34527117 1.27355720 B -5.47688748 -0.11146699 0.61123582 B -4.54633503 2.21984387 0.38937680 N 2.45045008 -3.57558196 -0.06421315 N 0.15695929 -3.82739657 0.16682222 N 4.55291463 -2.62025141 0.07320353 N -2.15613315 -3.72420777 0.34182989 N -4.07917974 -2.51730474 -0.20456014 N -4.84002879 -0.35409043 -0.78041605 N -4.18701909 1.88791706 -1.05226160 N -2.42798978 3.51932559 0.56913457 N -0.09577778 3.80676386 0.87013725 N 2.17398253 3.18002128 1.24153642 N 4.01455489 1.67894872 1.31110617 N 4.95674967 -0.45012436 0.87044327 S -1.08611908 -0.61741772 -3.07119679 H -0.29094280 -1.09497077 -2.07550854 H -1.11573544 0.63001811 -2.55309891 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 74 0.1 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 73 0.1 74 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 74 0.1 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 74 75