Page Comparison

%mem=128GB
%cpu=0-127
# b3lyp/6-311+g(d) opt freq`freq

We love Café

0 1
O  2.383524  1.065652  0.000000
O  0.332955 -3.082123  0.000000
N -1.057329 -1.245565  0.000000
N -0.465323  2.223753  0.000000
N  1.319793 -1.009521  0.000000
N -2.286017  0.870360  0.000000
C  0.000000  0.927977  0.000000
C -1.140130  0.130872  0.000000
C  1.344937  0.405397  0.000000
C  0.190307 -1.864298  0.000000
C -1.831401  2.134481  0.000000
C -2.275717 -2.049078  0.000000
C  0.349100  3.433269  0.000000
C  2.606002 -1.713972  0.000000
H -2.459303  3.025784  0.000000
H -2.875732 -1.821570  0.894667
H -1.972156 -3.102774  0.000000
H -2.875732 -1.821570 -0.894667
H -0.326272  4.300612  0.000000
H  0.989438  3.453412  0.892939
H  0.989438  3.453412 -0.892939
H  3.392927 -0.950608  0.000000
H  2.684548 -2.353005 -0.891658
H  2.684548 -2.353005  0.891658