%nprocshared=24
%mem=123GB
%chk=I1_Et3NHBF4_Cis_1.chk
#p opt freq=noraman scrf=(smd,solvent=dichloroethane,read) nosymm pop=full geom=connectivity def2svp empiricaldispersion=gd3 iop(6/80=1) rm062x scf=(maxcycle=250,xqc)

Title Card Required

0 1
 C                  0.00700000    0.00700000    0.01400000
 C                  0.00000000    0.00000000    2.20629900
 N                  1.24897400    0.00350000    0.51511700
 N                  1.24908300   -0.02706900    1.88233300
 N                 -0.80481700    0.02239200    1.09379400
 C                 -0.67304300   -0.11343900    3.53499000
 H                  0.01518600   -0.54909300    4.26783400
 H                 -0.99047100    0.87848800    3.90111600
 O                 -1.76088300   -0.98930900    3.36015800
 C                 -2.79046500   -0.49258200    2.53019400
 C                 -2.25486100    0.21945200    1.23367700
 H                 -3.36997300   -1.38032800    2.25109100
 H                 -2.72962400   -0.18198100    0.33247000
 C                 -2.58000400    1.68292800    1.43398800
 C                 -3.68139000    0.55465200    3.23857600
 C                 -3.37406500    1.86767900    2.56599800
 C                 -3.76859700    3.15391900    2.93538500
 C                 -2.15549000    2.75967000    0.65733100
 C                 -2.54503400    4.04464300    1.03451400
 C                 -3.34802600    4.23785000    2.16342500
 H                 -2.20625500    4.88871300    0.43282800
 H                 -3.64431100    5.24890700    2.44840100
 H                 -1.53473200    2.63626700   -0.23114200
 H                 -4.38827700    3.31125700    3.82029600
 C                  2.47767600    0.29304800   -0.17074800
 C                  3.47885700   -0.68115700   -0.22403500
 C                  2.61549200    1.56406800   -0.74924100
 C                  4.64962300   -0.36446000   -0.91853000
 C                  3.79809100    1.82486500   -1.44170400
 C                  4.82122200    0.87480100   -1.54150500
 H                  5.44536000   -1.11076700   -0.97682900
 H                  3.92509700    2.80276800   -1.91285000
 H                 -3.46912900    0.55941700    4.31835800
 H                 -4.74359800    0.29138100    3.12406400
 C                  1.51927300    2.58736500   -0.65759600
 H                  0.68552200    2.33703200   -1.32968400
 H                  1.12458900    2.66940300    0.36705400
 H                  1.87437200    3.57575400   -0.96861400
 C                  3.28527200   -2.02882600    0.41452400
 H                  2.95271600   -1.93401500    1.45761700
 H                  2.51998400   -2.60960000   -0.12389300
 H                  4.21687400   -2.60726500    0.39276100
 C                  6.08035300    1.19856600   -2.29918800
 H                  5.85227600    1.45282800   -3.34482300
 H                  6.58942500    2.06845300   -1.85834100
 H                  6.78071300    0.35358100   -2.29591200
 C                 -0.45932300   -0.24010100   -1.37071000
 C                  0.54281100   -0.11828600   -2.46613100
 O                 -1.70565800    0.33647600   -1.61778400
 C                  0.29863400    0.46540700   -3.64173300
 C                  1.29070700    0.54401200   -4.75784000
 H                  1.50082300   -0.62042400   -2.30661600
 H                 -0.66222500    0.96315600   -3.80019500
 H                 -0.65781900   -1.27817500   -1.31264600
 N                 -1.19111300   -2.87297100   -1.36668300
 C                 -0.07223800   -3.69987400   -1.84122500
 H                 -0.27852300   -4.76338200   -1.60737200
 H                  0.81818200   -3.41638900   -1.26176800
 C                 -2.35944900   -2.96113700   -2.26351300
 H                 -2.06362600   -2.53166100   -3.23045300
 H                 -2.59357100   -4.03329300   -2.43999700
 C                 -1.54334600   -3.17375300    0.02918100
 H                 -2.23317200   -2.39023800    0.37315200
 H                 -2.11114400   -4.12664800    0.07098700
 C                  0.24805200   -3.55996900   -3.32466100
 H                  1.19479600   -4.07763100   -3.53337200
 H                 -0.52190200   -4.01601100   -3.96014600
 H                  0.36402600   -2.50621000   -3.61559900
 C                 -3.60672700   -2.23854200   -1.77624700
 H                 -3.38991000   -1.17675600   -1.59280100
 H                 -4.37203500   -2.29459900   -2.56570100
 H                 -4.03727000   -2.69485600   -0.87487800
 C                 -0.35958100   -3.25106200    0.98836600
 H                  0.21239400   -4.18336500    0.87198400
 H                  0.34473600   -2.41813000    0.84813700
 H                 -0.72821400   -3.20421200    2.02116900
 H                 -1.60153500    1.25374400   -1.94010000
 B                 -0.81975300    4.06416500   -2.67296500
 F                 -1.54164300    2.83300300   -2.54242000
 F                  0.39352300    3.79423600   -3.29557500
 F                 -1.58140100    4.94222800   -3.42688200
 F                 -0.61242100    4.57315900   -1.38743600
 H                  2.22921700    0.03034500   -4.50291700
 H                  0.89146300    0.10522900   -5.68407000
 H                  1.51764000    1.59894700   -4.97594400

 1 3 1.5 5 1.5 47 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 1.0
 48 50 2.0 52 1.0
 49 77 1.0
 50 51 1.0 53 1.0
 51 83 1.0 84 1.0 85 1.0
 52
 53
 54
 55 56 1.0 59 1.0 62 1.0
 56 57 1.0 58 1.0 65 1.0
 57
 58
 59 60 1.0 61 1.0 69 1.0
 60
 61
 62 63 1.0 64 1.0 73 1.0
 63
 64
 65 66 1.0 67 1.0 68 1.0
 66
 67
 68
 69 70 1.0 71 1.0 72 1.0
 70
 71
 72
 73 74 1.0 75 1.0 76 1.0
 74
 75
 76
 77
 78 79 1.0 80 1.0 81 1.0 82 1.0
 79
 80
 81
 82
 83
 84
 85

alpha=1.2


