%chk=t-TS1-d.chk
%nprocshared=24
%mem=124GB
#p opt=(calcfc,ts,noeigentest) freq genecp
scrf=(smd,solvent=dichloromethane) nosymm pop=(full,nbo6)
empiricaldispersion=gd3 gfinput gfprint m06 scf=(maxcyc=400,xqc)

t-TS1-d

0 3
 Co                 0.10496700    0.03747900   -0.19360200
 N                 -0.44794900    1.47841500   -1.57277200
 C                 -1.32319300    1.35219600   -2.57842900
 H                 -1.73555300    0.35460700   -2.73362900
 C                 -1.68817300    2.41973500   -3.38386800
 H                 -2.40103700    2.27552300   -4.19169200
 C                 -1.13384200    3.66849800   -3.11126900
 H                 -1.41110700    4.53580200   -3.70751500
 C                 -0.24277200    3.80766900   -2.05775200
 H                  0.16429100    4.78289300   -1.80017800
 C                  0.09260900    2.68444400   -1.29882600
 C                  1.01068900    2.68837700   -0.16147900
 C                  2.03104300    3.64000100   -0.05297900
 H                  2.11828100    4.41393800   -0.81586800
 C                  2.96110600    3.58264400    0.97419500
 H                  3.74948000    4.32999600    1.03992700
 C                  2.88190400    2.55161300    1.91485600
 H                  3.60909600    2.49042500    2.72370800
 C                  1.86588500    1.61443300    1.84231700
 H                  1.78126800    0.85096100    2.61439800
 C                  0.90792700    1.64580900    0.80656300
 C                  1.31874700   -1.31925100   -1.51997400
 C                  2.02572500   -1.12228700   -0.29572300
 C                  1.21846200   -1.63067100    0.77047500
 C                 -0.00195700   -2.10532400    0.20680500
 C                  0.06663300   -1.92205400   -1.21629200
 C                  1.80651800   -0.86384300   -2.85525200
 H                  2.25946100    0.13838600   -2.79659500
 H                  0.99579900   -0.81249700   -3.59431200
 H                  2.57646600   -1.53419000   -3.26836800
 C                  3.38982500   -0.52822300   -0.19448800
 H                  4.16036800   -1.21267000   -0.58231600
 H                  3.66077800   -0.29049100    0.84176700
 H                  3.47353800    0.40500100   -0.77359300
 C                  1.59339800   -1.77387800    2.20785100
 H                  2.53451900   -1.26052500    2.44201300
 H                  1.73426400   -2.83271700    2.47771400
 H                  0.82072100   -1.37802800    2.88426000
 C                 -1.07051200   -2.82541600    0.96074800
 H                 -0.75397100   -3.84363700    1.24006400
 H                 -1.98892900   -2.91604200    0.36746500
 H                 -1.33982900   -2.30902800    1.89499700
 C                 -0.99029700   -2.33314600   -2.18869400
 H                 -1.99882000   -2.06925400   -1.83371500
 H                 -0.98638800   -3.42188200   -2.35535100
 H                 -0.84756100   -1.86176100   -3.17072200
 S                 -0.89980000    1.16126000    1.61923300
 C                 -1.14580600    2.89806500    2.16828600
 F                 -0.20479300    3.30338900    3.02253900
 F                 -1.20083800    3.79815500    1.19467600
 F                 -2.31153900    2.91527600    2.81806800

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

-Cu -I -Ag -Co 0
LANL2DZ







