%nprocshared=24 %mem=123GB %chk=I6Anti_Si_Up_Trans_1VDW_complex.chk #p opt freq=noraman scrf=(solvent=dichloroethane,read,smd) def2svp nosymm geom=connectivity empiricaldispersion=gd3 iop(6/80=1) pop=full rm062x scf=(maxcycle=250,xqc) Title Card Required 0 1 C 0.19360700 0.32655300 0.67063600 C 0.16733700 -0.24647100 2.84151600 N 1.41066400 0.07717300 1.19459300 N 1.42034400 -0.28189500 2.51661000 N -0.59672200 0.12135700 1.76356800 C -0.47458900 -0.58003100 4.15212800 H 0.03681600 -1.43710200 4.60734000 H -0.38493800 0.26888700 4.85169700 O -1.81538500 -0.94687500 3.94007400 C -2.59175100 -0.00255400 3.23822500 C -2.04583900 0.33177800 1.81704500 H -3.56638500 -0.48788700 3.09786400 H -2.49731700 -0.30598700 1.04752300 C -2.41602800 1.78470000 1.63361700 C -2.80330500 1.34718200 3.96086200 C -2.85359000 2.34803000 2.83557000 C -3.23957700 3.68791600 2.87889200 C -2.34185300 2.53970700 0.46330800 C -2.72323400 3.88075000 0.51365400 C -3.17121500 4.44830000 1.71131500 H -2.67674200 4.49113900 -0.38970200 H -3.47088600 5.49764000 1.73217900 H -1.99605100 2.08198500 -0.46552100 H -3.58753900 4.13611900 3.81170900 C 2.65761600 0.23121300 0.50886300 C 3.49779800 -0.88013900 0.35934400 C 3.01162400 1.50457800 0.03249300 C 4.71740700 -0.69586600 -0.30003800 C 4.24205300 1.63609100 -0.61294300 C 5.10509400 0.55048500 -0.79314000 H 5.37807100 -1.55633000 -0.43267400 H 4.53529300 2.62088500 -0.98722000 H -1.96922800 1.57696100 4.64273400 H -3.71665100 1.33689000 4.57107100 C 2.10409000 2.69103600 0.20733900 H 1.22796700 2.61086400 -0.45173800 H 1.72825200 2.75767600 1.23916200 H 2.63668500 3.62014100 -0.03308500 C 3.10993800 -2.23090000 0.89671600 H 3.74187700 -3.01632200 0.46311800 H 3.21246600 -2.26290600 1.99117100 H 2.05893300 -2.46698000 0.67383200 C 6.39874300 0.72556900 -1.54141900 H 6.93062400 1.63015600 -1.21375300 H 7.06409600 -0.13687900 -1.40376700 H 6.20956700 0.83441100 -2.62154800 C -1.47111400 -0.44880400 -1.68243400 C -0.68741900 -1.74460000 -1.78654800 O -2.55664700 -0.24799800 -1.23463600 C -0.69199200 -2.64813000 -0.55317300 H -0.12136600 -3.55354500 -0.82148600 H -0.12660800 -2.15154400 0.24758200 C -2.04749200 -3.04757300 -0.01653800 C -3.06076500 -3.53936600 -0.84795500 C -2.30240600 -2.94640100 1.35482700 C -4.29510900 -3.91319800 -0.32031200 H -2.89037400 -3.63001200 -1.92333500 C -3.53682000 -3.31829800 1.88800000 H -1.53177700 -2.55570800 2.02362800 C -4.53968100 -3.80224100 1.04970100 H -5.07423200 -4.29149100 -0.98450500 H -3.70711000 -3.22232200 2.96238200 H -5.50864400 -4.09192400 1.45945700 H -1.17576200 -2.27408200 -2.62429800 C 0.70953100 -1.29816000 -2.23919000 C 1.25764100 -2.07977800 -3.40615400 C 0.48287100 0.14694300 -2.60798000 H 1.42041100 -1.32698600 -1.39184200 C 2.41005500 -1.77759000 -4.02800000 C 1.42005300 0.99388700 -3.07220300 C 3.22407300 -0.59646000 -3.79456400 C 2.78312000 0.62286500 -3.40005600 H 4.28140200 -0.67261400 -4.06150700 H 3.49937600 1.44725700 -3.37685700 O -0.79074300 0.53570700 -2.34715100 Cl 1.01164500 2.68038500 -3.26870700 H 0.69232200 -2.95913500 -3.72991700 H 2.77119700 -2.46497300 -4.79830600 1 3 1.5 5 1.5 2 4 2.0 5 1.5 6 1.0 3 4 1.0 25 1.0 4 5 11 1.0 6 7 1.0 8 1.0 9 1.0 7 8 9 10 1.0 10 11 1.0 12 1.0 15 1.0 11 13 1.0 14 1.0 12 13 14 16 1.5 18 1.5 15 16 1.0 33 1.0 34 1.0 16 17 1.5 17 20 1.5 24 1.0 18 19 1.5 23 1.0 19 20 1.5 21 1.0 20 22 1.0 21 22 23 24 25 26 1.5 27 1.5 26 28 1.5 39 1.0 27 29 1.5 35 1.0 28 30 1.5 31 1.0 29 30 1.5 32 1.0 30 43 1.0 31 32 33 34 35 36 1.0 37 1.0 38 1.0 36 37 38 39 40 1.0 41 1.0 42 1.0 40 41 42 43 44 1.0 45 1.0 46 1.0 44 45 46 47 48 1.0 49 2.0 75 1.0 48 50 1.0 64 1.0 65 1.0 49 50 51 1.0 52 1.0 53 1.0 51 52 53 54 1.5 55 1.5 54 56 1.5 57 1.0 55 58 1.5 59 1.0 56 60 1.5 61 1.0 57 58 60 1.5 62 1.0 59 60 63 1.0 61 62 63 64 65 66 1.0 67 1.0 68 1.0 66 69 2.0 77 1.0 67 70 2.0 75 1.0 68 69 71 1.0 78 1.0 70 72 1.0 76 1.0 71 72 2.0 73 1.0 72 74 1.0 73 74 75 76 77 78 alpha=1.2