%nprocshared=24
%mem=125GB
%chk=T1Anti_Si_Up_Trans_3.chk
#p opt=(calcfc,ts,noeigentest,maxcyc=500) freq=noraman scrf=(solvent=dichloroethane,read,smd) nosymm geom=connectivity def2svp
empiricaldispersion=gd3 rm062x scf=(maxcycle=250,xqc) iop(6/80=1) pop=full

Title Card Required

0 1
 C                  0.01769800   -0.00496400   -0.01438000
 C                  0.03710600    0.03233600    2.16969500
 N                  1.26377000    0.02822800    0.46332800
 N                  1.28853200    0.03834900    1.82130700
 N                 -0.77452600    0.01791000    1.06901000
 C                 -0.63023700   -0.16091100    3.49220500
 H                  0.09514900   -0.51087800    4.23474600
 H                 -1.08250300    0.78020200    3.85242700
 O                 -1.58991300   -1.17134900    3.28529200
 C                 -2.67491700   -0.81172300    2.45434600
 C                 -2.23442300   -0.00359200    1.17034900
 H                 -3.11347400   -1.76696000    2.14603000
 H                 -2.60708600   -0.47954500    0.25192900
 C                 -2.81449600    1.38152400    1.37248500
 C                 -3.70988100    0.07705300    3.17800200
 C                 -3.63979800    1.41679200    2.49695900
 C                 -4.28725700    2.60162200    2.84833400
 C                 -2.61239000    2.51159000    0.57961800
 C                 -3.25610300    3.69423400    0.94120600
 C                 -4.08703400    3.73790200    2.06621900
 H                 -3.11504200    4.59122800    0.33611400
 H                 -4.58575500    4.67125800    2.33316700
 H                 -1.98332400    2.44856000   -0.31113100
 H                 -4.93667900    2.63777400    3.72505800
 C                  2.46639400    0.19346000   -0.30962600
 C                  3.41420300   -0.83799800   -0.36048100
 C                  2.63026200    1.41921300   -0.97167100
 C                  4.52770100   -0.63578300   -1.17814500
 C                  3.76460700    1.56642800   -1.76918700
 C                  4.71171400    0.54784400   -1.89918200
 H                  5.27777700   -1.42830300   -1.24486500
 H                  3.89798300    2.50232000   -2.31431900
 H                 -3.47824200    0.12591900    4.25290800
 H                 -4.71618200   -0.35849300    3.08933600
 C                  1.63111300    2.53322000   -0.82369100
 H                  0.69980600    2.30975300   -1.36506800
 H                  1.39266400    2.71452600    0.23639500
 H                  2.03654100    3.45971200   -1.24772300
 C                  3.30410900   -2.10615100    0.44391200
 H                  3.40347100   -2.98919100   -0.20281900
 H                  4.11564800   -2.14873100    1.18516300
 H                  2.36081000   -2.18146400    0.99553400
 C                  5.89481900    0.70771700   -2.81409800
 H                  5.69149700    0.23551700   -3.78805000
 H                  6.11708400    1.76670900   -2.99969600
 H                  6.79152400    0.22858600   -2.39788900
 C                 -0.54849300   -0.05864400   -1.42365400
 C                 -0.28438700   -1.20542600   -2.18516700
 O                 -1.25379800    0.91480900   -1.74501600
 C                  0.30001700   -2.46625300   -1.59952700
 H                  0.62358200   -3.11304700   -2.43120700
 H                  1.19773300   -2.24648300   -1.00492900
 C                 -0.70193500   -3.20232600   -0.73720900
 C                 -1.80289700   -3.84904200   -1.31586900
 C                 -0.60282900   -3.19136300    0.65789800
 C                 -2.78064700   -4.45234700   -0.53068900
 H                 -1.90191700   -3.87244100   -2.40407700
 C                 -1.57044400   -3.79211000    1.46335100
 H                  0.24726500   -2.70081900    1.14107600
 C                 -2.65913900   -4.41231000    0.85873000
 H                 -3.63534500   -4.94614200   -0.99379900
 H                 -1.48189900   -3.74924500    2.54950500
 H                 -1.01331500   -1.34613600   -2.99050500
 C                  1.15717800   -0.58850800   -3.69093100
 C                  1.19141500   -1.68396300   -4.56774300
 C                  0.64280200    0.76881700   -4.03533600
 H                  2.02069900   -0.49168200   -3.02404400
 C                  0.17944600   -2.06321200   -5.45772000
 C                 -0.65340800    0.93533300   -4.70423900
 C                 -0.99211000   -1.37914500   -5.74040700
 C                 -1.34250400   -0.05463900   -5.37627800
 H                 -1.71156500   -1.88841900   -6.38519400
 H                 -2.31207800    0.26543200   -5.77173200
 O                  1.31388100    1.72951200   -3.67082400
 H                  2.01717100   -2.38733400   -4.43557000
 H                  0.31057400   -3.02913000   -5.95475100
 C                 -1.29328300    2.27483900   -4.59263500
 C                 -0.59262100    3.45813700   -4.87418800
 C                 -2.63946900    2.37729800   -4.20933800
 C                 -1.22602200    4.69735100   -4.79283400
 H                  0.45672200    3.39768800   -5.15688200
 C                 -3.27113200    3.61578400   -4.12461900
 H                 -3.18005400    1.46881800   -3.93769600
 C                 -2.56661100    4.78414900   -4.41798400
 H                 -0.66485000    5.60469200   -5.02558300
 H                 -4.31668700    3.66988600   -3.81445500
 H                 -3.05875000    5.75610700   -4.34964300
 Br                -4.00612600   -5.19300300    1.94236300

 1 3 1.5 5 1.5 47 1.0
 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 1.5 49 2.0
 48 50 1.0 63 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 88 1.0
 61
 62
 63
 64 65 1.5 66 1.0 67 1.0
 65 68 1.5 75 1.0
 66 69 1.0 74 2.0
 67
 68 70 2.0 76 1.0
 69 71 2.0 77 1.0
 70 71 1.5 72 1.0
 71 73 1.0
 72
 73
 74
 75
 76
 77 78 1.5 79 1.5
 78 80 1.5 81 1.0
 79 82 1.5 83 1.0
 80 84 1.5 85 1.0
 81
 82 84 1.5 86 1.0
 83
 84 87 1.0
 85
 86
 87
 88

alpha=1.2


