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%Nosave
%chk=Qb3lyp_6311+Gdp.chk
%nproc=2
%mem=40MW
#p opt ub3lyp/6-311+g(d,p) gfprint
pop=full scf=maxcycle=500 maxdisk=16000mb
Comments
0 2
O 0.065000 0.007000 0.056000
C 0.042000 -0.015000 1.415000
C 1.187000 -0.021000 2.105000
O 1.244000 -0.025000 3.452000
C 2.480000 -0.017000 1.423000
O 3.503000 -0.021000 2.091000
C 2.437000 0.005000 -0.016000
C 1.199000 0.019000 -0.652000
C 1.078000 0.043000 -2.030000
O 2.212000 0.077000 -4.118000
C 2.243000 0.054000 -2.781000
C 3.506000 0.042000 -2.189000
O 4.812000 0.007000 -0.267000
C 3.607000 0.019000 -0.818000
C -1.336000 -0.005000 1.944000
C -1.634000 -0.484000 3.212000
C -2.942000 -0.464000 3.671000
C -3.953000 0.034000 2.878000
O -5.257000 0.094000 3.251000
C -3.665000 0.517000 1.604000
O -4.642000 1.008000 0.814000
C -2.370000 0.491000 1.144000
H 0.104000 0.051000 -2.483000
H 1.321000 0.084000 -4.439000
H 4.387000 0.052000 -2.800000
H 4.738000 0.000000 0.687000
H -0.862000 -0.872000 3.843000
H -3.170000 -0.841000 4.654000
H -5.380000 -0.235000 4.130000
H -5.473000 0.966000 1.271000
H -2.176000 0.866000 0.159000