%nproc=8
%mem=21200MB
#p opt=(modredun) freq b97d scrf=(solvent=benzene,SMD) gen
pseudo=read scfcyc=300

TS3_insertion  Energy= -939.494458133

+1 1
 C                  1.31911600   -2.22126600   -0.41768800
 C                  0.83253700   -3.42343200    0.29344900
 O                 -0.29539400   -3.90973300   -0.32178700
 O                  1.29649200   -3.92133300    1.32194600
 H                  2.85482500   -1.94573900    1.10998300
 C                 -0.90587300   -5.04894000    0.31806000
 H                 -0.26175100   -5.93719000    0.21504200
 H                 -1.08606500   -4.85788400    1.38480800
 H                 -1.85430200   -5.20515500   -0.21189800
 C                  2.88139800   -1.87610400    0.01502300
 C                  3.27333600   -0.55132000   -0.48005100
 C                  3.51475400   -3.02022000   -0.64125000
 C                  4.04675100   -0.40978600   -1.60374100
 H                  2.87292900    0.32138700    0.03294400
 C                  4.23604900   -2.86274000   -1.82798900
 C                  4.49059100   -1.57030900   -2.30385300
 H                  4.27815100    0.57952300   -1.99651300
 H                  5.03955700   -1.44319600   -3.23894600
 H                  4.59995000   -3.73181200   -2.37705800
 H                  3.33149200   -4.00620700   -0.21681200
 H                  1.22733400   -2.29774500   -1.50606000
 C                 -0.85507400    0.91265100    0.70337000
 N                 -2.18853700    1.21107800    0.74019900
 N                 -0.27918400    1.94430600    1.39801100
 C                 -2.43988100    2.38493800    1.44574800
 C                 -1.22515700    2.85385300    1.86133600
 H                 -3.44502100    2.76677100    1.57974600
 H                 -0.94616100    3.73178700    2.43080900
 C                 -3.18322000    0.37294900    0.11889500
 C                 -3.68341000    0.74978700   -1.15013800
 C                 -3.57781700   -0.80024700    0.79464700
 C                 -4.58809100   -0.13514500   -1.76368500
 C                 -3.23228000    2.04405100   -1.82904800
 C                 -4.48705000   -1.64964900    0.13594100
 C                 -3.06555300   -1.16185100    2.18584100
 H                 -4.98830500    0.10605800   -2.74803200
 C                 -4.97804300   -1.32622400   -1.13352900
 H                 -3.08259600    2.80097800   -1.04182800
 C                 -1.87930000    1.85041700   -2.55118300
 C                 -4.27887400    2.61236900   -2.80797400
 H                 -4.80549100   -2.57017300    0.62846100
 H                 -2.39744000   -0.36229000    2.53609900
 C                 -2.24492700   -2.46594800    2.14279400
 C                 -4.22860400   -1.27522000    3.19529700
 H                 -5.67506600   -2.00047300   -1.63581600
 H                 -1.57134400    2.79742300   -3.02605700
 H                 -1.08464200    1.53486900   -1.86538300
 H                 -1.95511900    1.08264900   -3.33161500
 H                 -4.37981100    1.97467600   -3.70094000
 H                 -3.95518500    3.60822000   -3.15065800
 H                 -5.27150200    2.71075200   -2.33782600
 H                 -1.83695700   -2.69906800    3.14006300
 H                 -1.41191000   -2.37264200    1.43277000
 H                 -2.87490000   -3.31062200    1.82130600
 H                 -4.92094200   -2.08371100    2.90985300
 H                 -4.80414300   -0.33662700    3.25089000
 H                 -3.83654600   -1.50274700    4.20068700
 C                  1.14715200    2.05218200    1.56244600
 C                  1.76691800    1.29304800    2.57998000
 C                  1.86401600    2.88227200    0.66789500
 C                  3.16871200    1.37557600    2.68414100
 C                  0.97944700    0.40580900    3.54018100
 C                  3.26070200    2.94290600    0.82820300
 C                  1.15623300    3.71878900   -0.39524700
 H                  3.67776600    0.79264500    3.45348900
 C                  3.90855800    2.19415600    1.82125500
 H                 -0.09317300    0.54845900    3.34733500
 C                  1.29816300   -1.08515900    3.30232700
 C                  1.24647700    0.79726300    5.00978300
 H                  3.84540100    3.57499000    0.15919400
 H                  0.15597000    3.29306400   -0.55729900
 C                  1.87675900    3.70675200   -1.75782200
 C                  0.98024000    5.16763500    0.11683100
 H                  4.99492000    2.24694100    1.91925200
 H                  0.72988700   -1.71596900    4.00507500
 H                  1.02883900   -1.38969200    2.28037500
 H                  2.37071400   -1.28694400    3.45833500
 H                  2.30177500    0.63060500    5.28062700
 H                  0.62426500    0.18137700    5.67969900
 H                  1.01045500    1.85846300    5.19156800
 H                  2.87761300    4.16548700   -1.69456700
 H                  1.28912400    4.29234800   -2.48328600
 H                  1.96738400    2.68249000   -2.14101000
 H                  1.96256800    5.63834800    0.28944400
 H                  0.41765000    5.19762400    1.06414300
 H                  0.43518400    5.76994100   -0.62869400
 Cu                 0.11989700   -0.58524800   -0.06466500

X 1 F
X 10 F
X 11 F
X 12 F

-H -B -C -N -O -F -Si -Cl 0
6-31g(d)
*****
-Cu 0
lanl2dz
F  1  1.0
3.525    1.0000
*****

-Cu 0
lanl2dz






