%chk=TS1-+-oss-2.chk
%nprocshared=24
%mem=124GB
#p opt=(ts,calcfc,noeigentest) iop(1/8=4) freq guess=read b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

TS1-+-oss-2

1 1
 C                  1.73636368   -0.65454544    0.00000000
 C                  1.87820668   -1.66848544   -1.12160300
 C                  2.93278868   -0.78284944    0.93564600
 C                  1.72951368    0.71056656   -0.69098800
 C                  0.72677568    1.64126256   -0.84320900
 H                 -0.27808232    1.70728056   -0.45801400
 C                  1.02528368   -2.61929644   -1.63350300
 H                  0.04863868   -2.96562544   -1.33669100
 C                  3.08558668   -1.45306144    2.13010300
 H                  2.40822668   -2.01809244    2.74996800
 N                  4.38771668   -1.26223644    2.46145000
 N                  1.25947368    2.58698056   -1.65904100
 N                  1.69124668   -3.11291444   -2.71094100
 N                  2.78809768    1.14397756   -1.43321900
 N                  2.50631368    2.28329956   -2.01788400
 N                  2.87273768   -2.51204944   -2.87720300
 N                  2.98263168   -1.63942944   -1.91186200
 N                  4.14724768   -0.25813344    0.60828900
 N                  5.02772468   -0.54489244    1.53361700
 Cu                 4.44657468   -0.04550144   -1.59956700
 O                  0.50259868   -0.91943344    0.62287700
 C                  0.17550168   -0.15518944    1.79597800
 H                 -0.91428032   -0.07625144    1.81190800
 H                  0.50951268   -0.66719844    2.70413500
 H                  0.60890068    0.84974856    1.77317400
 C                  1.20038268   -4.02316644   -3.76028700
 H                  1.97125268   -4.77788444   -3.92651700
 H                  0.31218168   -4.51143244   -3.35389400
 C                  0.58835168    3.75538156   -2.24940800
 H                 -0.21834032    4.02154056   -1.56177700
 H                  1.31483868    4.56972956   -2.26283900
 C                  5.08739868   -1.69929044    3.67776000
 H                  5.50452168   -0.80753744    4.15161300
 H                  4.31204768   -2.09641744    4.33931900
 C                  0.90371868   -3.24059444   -5.02292100
 C                 -0.17758732   -2.34957744   -5.05977000
 C                  1.75266668   -3.33762544   -6.13065500
 C                 -0.40626932   -1.56563644   -6.19138300
 H                 -0.83453232   -2.26344544   -4.19720000
 C                  1.51972568   -2.55837044   -7.26739900
 H                  2.60112068   -4.01619044   -6.09942500
 C                  0.44357768   -1.66873044   -7.29786400
 H                 -1.24280232   -0.87271944   -6.20963100
 H                  2.18592368   -2.63876044   -8.12188800
 H                  0.26717068   -1.05601244   -8.17771700
 C                  6.16798868   -2.72962044    3.41708900
 C                  7.35976168   -2.67185444    4.14966900
 C                  5.97837468   -3.76324944    2.49260500
 C                  8.34679068   -3.64455744    3.97003200
 H                  7.51576368   -1.86434944    4.86146800
 C                  6.97067768   -4.72608944    2.30364100
 H                  5.07691768   -3.79468444    1.89082200
 C                  8.15438868   -4.67329644    3.04444200
 H                  9.26951368   -3.58940844    4.54152200
 H                  6.82266368   -5.51047844    1.56655900
 H                  8.92807768   -5.42062344    2.89062900
 C                  0.06558568    3.45980356   -3.64179400
 C                 -0.79484432    2.37681556   -3.86756200
 C                  0.43298768    4.27829156   -4.71468700
 C                 -1.27831332    2.11646756   -5.15002100
 H                 -1.08308932    1.73139456   -3.04126100
 C                 -0.05557032    4.02194456   -5.99916100
 H                  1.10442968    5.11624656   -4.54574600
 C                 -0.90984532    2.93916356   -6.22003000
 H                 -1.94580532    1.27515056   -5.31390800
 H                  0.23835868    4.66344156   -6.82533500
 H                 -1.28623532    2.73564356   -7.21873000
 N                  6.15625568   -0.85233244   -1.69267100
 S                  6.32931568   -2.47158144   -1.48198900
 O                  5.37207568   -2.88879744   -0.42786200
 O                  6.30903968   -3.24160244   -2.74733500
 C                  7.98002268   -2.60546844   -0.79789900
 C                  8.26106768   -1.94835144    0.40661800
 C                  8.94933068   -3.36941444   -1.44401700
 C                  9.53100468   -2.06563344    0.95815300
 H                  7.49064768   -1.36782844    0.90339900
 C                 10.21966368   -3.48080344   -0.87136100
 H                  8.71062468   -3.87126544   -2.37588400
 C                 10.52877368   -2.83537044    0.33239000
 H                  9.75308168   -1.56603244    1.89746500
 H                 10.97760168   -4.08105944   -1.36822600
 C                 11.89532468   -2.95128044    0.96099800
 H                 11.82007868   -3.29933344    1.99882400
 H                 12.53620668   -3.64897444    0.41295600
 H                 12.40040168   -1.97701744    0.98702600
 C                  6.58006568    0.78722156   -4.13414500
 C                  7.15211368   -0.40994944   -3.81878000
 H                  6.70801068   -1.35408944   -4.10580600
 H                  7.14711068    1.69890456   -3.94936900
 C                  5.21984668    0.97866456   -4.61272200
 C                  4.28114468   -0.07939344   -4.68389600
 C                  4.79258668    2.27339356   -4.98608600
 C                  2.97391268    0.15487556   -5.10273100
 H                  4.56703468   -1.08098144   -4.38113700
 C                  3.49135468    2.49769456   -5.42522700
 H                  5.49880168    3.09864056   -4.93166000
 C                  2.57514668    1.44047256   -5.48213100
 H                  2.26490268   -0.66641444   -5.12516300
 H                  3.17920668    3.49825856   -5.70959100
 H                  1.55533868    1.62201556   -5.80629300
 H                  8.17385368   -0.44706644   -3.45534000

-Cu 0
LANL2DZ
****
-N -C -H -O -Cl -S 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I 0
LANL2DZ







