%nprocshared=24
%mem=115GB
%chk=DCB_R_TS_CN_1.chk
#p opt=(calcfc,ts,noeigentest) freq b3lyp/gen
scrf=(solvent=generic,read,pcm) empiricaldispersion=gd3bj

DCB_R_TS_CN_1

-1 1
 C                 -3.74150400   -0.60962700   -0.21115800
 C                 -2.67471500   -0.77169100   -1.13932500
 C                 -1.44468900   -0.21080400   -0.91739500
 C                 -1.19040200    0.68742100    0.20460600
 C                 -2.22883800    0.64414300    1.22895000
 C                 -3.45689000    0.08120900    1.00005900
 H                 -2.83533500   -1.38583100   -2.02242800
 H                 -0.63915700   -0.37226200   -1.63004500
 H                 -2.03087000    1.14491200    2.17383100
 H                 -4.22251300    0.12686200    1.77114900
 C                 -1.30510600    2.45199600   -0.53846300
 C                 -5.00543600   -1.18973800   -0.44162900
 N                 -1.80251000    3.37003600   -1.07369300
 N                 -6.05849600   -1.66748000   -0.63537300
 C                  4.25775400   -1.46426500   -1.17123800
 C                  3.37315800   -1.56197200   -0.09678800
 C                  3.12211000   -0.46034900    0.73435100
 C                  3.78313100    0.74345500    0.45918500
 C                  4.66991500    0.84785800   -0.61545000
 C                  4.91021100   -0.25645800   -1.43507700
 H                  4.44081600   -2.33073100   -1.80103600
 H                  2.87023700   -2.50527500    0.10405600
 H                  3.59928900    1.60702900    1.09375000
 H                  5.17252300    1.79132400   -0.81063400
 H                  5.60041300   -0.17870200   -2.27038800
 C                  2.12879800   -0.57092900    1.86919500
 H                  2.27529300    0.26118300    2.56918800
 H                  2.31577200   -1.49506500    2.43072100
 C                  0.66473500   -0.57755400    1.38659500
 H                  0.51627500   -1.41212800    0.68959900
 H                  0.00559700   -0.76929200    2.24235000
 C                  0.25074100    0.73277500    0.70774800
 H                  0.36279200    1.56521100    1.41376100
 H                  0.91807400    0.94205700   -0.13540700

C H N 
6-31G(d)
****

eps=43.310
epsinf=1.880








