%chk=000278198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278198

0 1
O 1.673586 -0.417748 -1.020836
O 2.886516 -1.864392 1.564064
O 4.066726 0.312630 1.206072
O 4.336585 2.069728 -0.913085
O -0.965423 -3.005569 -1.042636
N -0.268805 -1.079908 0.143253
N -2.535561 -1.368232 -0.335413
N -0.435736 1.160480 1.222436
N -2.702507 2.052124 1.328778
N -4.578945 0.968205 0.379103
C 1.198271 -1.257006 0.030525
C 1.919346 -0.832316 1.335870
C 2.670372 0.485788 0.989400
C 2.322188 0.779853 -0.491202
C 3.532202 1.003169 -1.411603
C -0.948344 0.075724 0.578910
C -1.228398 -1.944998 -0.538176
C -2.342946 -0.081110 0.262612
C -3.220979 0.947133 0.666777
C -3.565829 -1.570117 -1.375984
C -1.367332 2.111251 1.558951
H 1.414625 -2.307925 -0.298155
H 1.248352 -0.735598 2.212521
H 2.403969 1.333212 1.658643
H 1.578212 1.602123 -0.569976
H 3.217315 1.354349 -2.413375
H 4.133812 0.083442 -1.520899
H 3.259541 -1.773821 2.472971
H 4.363863 -0.563384 0.831972
H -3.324833 -2.472984 -1.973158
H -3.658509 -0.714153 -2.065614
H -4.538497 -1.751864 -0.887592
H 4.717202 1.817683 -0.028881
H -0.989878 3.008384 2.080829
H -5.053281 0.088619 0.243214
H -5.136780 1.698429 0.809883


%chk=000278198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278198

0 1
O 1.688597 -0.029477 -1.209145
O 3.110956 -1.831113 0.996993
O 3.926207 0.512881 1.591933
O 4.751989 2.048367 -0.549595
O -0.956580 -2.945944 -1.097075
N -0.306786 -0.850977 -0.106138
N -2.516797 -1.257714 -0.413193
N -0.475852 1.394063 0.908811
N -2.775742 2.191039 1.137941
N -4.665958 0.977045 0.474510
C 1.147103 -1.017942 -0.290076
C 1.959013 -0.913481 1.026029
C 2.579155 0.520255 1.016124
C 2.538273 0.967557 -0.484263
C 3.922271 1.008665 -1.160591
C -1.004868 0.269704 0.360877
C -1.230182 -1.820079 -0.604696
C -2.391645 0.020466 0.172979
C -3.292024 1.037695 0.582934
C -3.729159 -1.974892 -0.808718
C -1.429203 2.308683 1.272111
H 1.252818 -2.016347 -0.752698
H 1.331737 -1.100499 1.916102
H 1.963607 1.194271 1.626022
H 2.041834 1.948852 -0.573236
H 3.805995 1.287943 -2.219841
H 4.396260 0.005787 -1.107822
H 2.837430 -2.751786 1.224856
H 4.252989 -0.429610 1.520899
H -3.410992 -2.943387 -1.228706
H -4.285704 -1.424949 -1.589714
H -4.384456 -2.169718 0.059966
H 4.841101 1.784742 0.410140
H -1.066201 3.238591 1.718294
H -5.154165 0.186573 0.066167
H -5.190922 1.785938 0.802015


