%nprocshared=24
%mem=123GB
%chk=T4Syn_Re_Up_Cis_4.chk
#p opt=(calcfc,ts,noeigentest,maxcyc=500) freq=noraman scrf=(solvent=dichloroethane,read,smd) nosymm geom=connectivity def2svp
empiricaldispersion=gd3 iop(6/80=1) pop=full rm062x scf=(maxcycle=250,xqc)

Title

0 1
 C                  0.00000000    0.00000000    0.00000000
 C                  0.00000000    0.00000000    2.18423000
 N                  1.24406000    0.00000000    0.49855000
 N                  1.25492000   -0.01951000    1.85335000
 N                 -0.80310000    0.01575000    1.08044000
 C                 -0.66608000   -0.15736000    3.51040000
 H                  0.06519000   -0.47357000    4.26258000
 H                 -1.12364000    0.79373000    3.83896000
 O                 -1.61451000   -1.17918000    3.34399000
 C                 -2.67974000   -0.88049000    2.46100000
 C                 -2.26095000   -0.03281000    1.20403000
 H                 -3.03741000   -1.85733000    2.11855000
 H                 -2.63679000   -0.49724000    0.28679000
 C                 -2.87330000    1.32950000    1.43291000
 C                 -3.79449000   -0.06362000    3.15199000
 C                 -3.74483000    1.30373000    2.52260000
 C                 -4.44512000    2.45563000    2.88203000
 C                 -2.68047000    2.48942000    0.68407000
 C                 -3.37474000    3.64139000    1.05330000
 C                 -4.25173000    3.62309000    2.14313000
 H                 -3.23849000    4.56217000    0.48381000
 H                 -4.78968000    4.53195000    2.41838000
 H                 -2.01419000    2.47565000   -0.18000000
 H                 -5.13049000    2.44557000    3.73183000
 C                  2.48457000   -0.04793000   -0.21971000
 C                  3.10074000   -1.29654000   -0.35242000
 C                  2.99066000    1.13105000   -0.77765000
 C                  4.28288000   -1.34650000   -1.09472000
 C                  4.17509000    1.02662000   -1.50809000
 C                  4.83093000   -0.19889000   -1.67789000
 H                  4.78315000   -2.30863000   -1.22712000
 H                  4.59299000    1.92758000   -1.96435000
 H                 -3.62611000   -0.04625000    4.23943000
 H                 -4.77459000   -0.53434000    2.98228000
 C                  2.25078000    2.43223000   -0.64319000
 H                  1.36106000    2.44029000   -1.29690000
 H                  1.91099000    2.59658000    0.39019000
 H                  2.88629000    3.27639000   -0.93967000
 C                  2.48816000   -2.52326000    0.26748000
 H                  2.62295000   -2.51437000    1.36019000
 H                  1.40328000   -2.57670000    0.07892000
 H                  2.95660000   -3.43323000   -0.12735000
 C                  6.11470000   -0.26807000   -2.45956000
 H                  6.34971000   -1.29879000   -2.75471000
 H                  6.06096000    0.35127000   -3.36570000
 H                  6.95498000    0.10853000   -1.85592000
 C                 -0.47465000    0.11327000   -1.42111000
 C                  0.34340000   -0.35437000   -2.47428000
 O                 -1.63401000    0.54596000   -1.56114000
 C                  0.04521000    0.20835000   -3.84261000
 H                  0.54715000   -0.39562000   -4.61190000
 H                 -1.03771000    0.15871000   -4.02377000
 H                  1.39258000   -0.56098000   -2.26756000
 C                 -0.34857000   -2.40555000   -2.64413000
 C                 -1.56736000   -2.31818000   -1.80430000
 C                 -0.26184000   -2.78286000   -3.99949000
 H                  0.48979000   -2.73905000   -2.03055000
 C                 -2.87505000   -2.00788000   -2.35973000
 C                 -1.22383000   -2.69111000   -5.00109000
 C                 -3.24023000   -1.96778000   -3.70354000
 C                 -2.54880000   -2.28205000   -4.88059000
 H                 -4.28535000   -1.68550000   -3.86569000
 H                 -3.13168000   -2.22668000   -5.80212000
 O                 -1.38633000   -2.38594000   -0.57919000
 H                  0.72581000   -3.12714000   -4.31949000
 H                 -0.89490000   -2.97480000   -6.00493000
 C                 -3.94975000   -1.69985000   -1.37279000
 C                 -4.64726000   -0.48569000   -1.45369000
 C                 -4.28099000   -2.59538000   -0.34573000
 C                 -5.64724000   -0.17189000   -0.53506000
 H                 -4.35894000    0.23401000   -2.22201000
 C                 -5.28988000   -2.28764000    0.56658000
 H                 -3.73316000   -3.53459000   -0.26164000
 C                 -5.97401000   -1.07369000    0.47862000
 H                 -6.16367000    0.78765000   -0.60191000
 H                 -5.53905000   -2.99860000    1.35734000
 H                 -6.75741000   -0.83023000    1.19903000
 C                  0.53723821    1.66640812   -3.90239932
 H                  1.60430077    1.68618001   -3.82567534
 H                  0.23821267    2.10594830   -4.83099405
 H                  0.11106479    2.22016199   -3.09207046

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

alpha=1.2


