%chk=000116947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116947

0 1
O 0.569754 0.124700 1.130349
O -0.024827 -1.029849 -0.725879
O -5.103091 -0.298083 -0.605998
O -4.116775 1.692469 -0.325883
N 4.138107 0.023342 0.096477
C 2.699020 0.421155 -0.019615
C 1.942092 -0.375809 1.050572
C -1.650239 0.378110 0.452408
C 5.038185 1.176132 -0.200892
C 4.447027 -1.126089 -0.805110
C -2.785144 -0.375551 -0.234323
C -0.325402 -0.277601 0.171023
C -3.999140 0.491691 -0.375311
H 2.256326 0.229752 -1.021679
H 2.568982 1.507684 0.173504
H 2.308919 -0.176348 2.074192
H 1.920364 -1.458644 0.845731
H -1.611440 1.440441 0.103851
H -1.820838 0.455863 1.549639
H 4.850618 1.976975 0.532706
H 4.937303 1.596400 -1.211981
H 6.084190 0.855571 -0.064379
H 4.365253 -0.907856 -1.880153
H 3.769714 -1.964257 -0.574781
H 5.472977 -1.471413 -0.598454
H -3.037303 -1.313371 0.311279
H -2.466532 -0.728706 -1.248962
H -5.937099 0.231190 -0.727432


%chk=000116947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116947

0 1
O 0.574440 0.193730 1.225221
O -0.052327 -1.174671 -0.560077
O -5.163795 -0.395336 -0.715516
O -4.082418 1.651454 -0.550904
N 4.168528 0.050498 0.034122
C 2.783896 0.560766 0.143457
C 1.977809 -0.311942 1.124363
C -1.688500 0.371398 0.465606
C 5.165978 1.105312 -0.234842
C 4.296388 -1.086487 -0.902329
C -2.820120 -0.447331 -0.177873
C -0.338169 -0.303619 0.295937
C -4.036165 0.402910 -0.479452
H 2.259458 0.591627 -0.842204
H 2.813004 1.593356 0.535254
H 2.380064 -0.228433 2.144411
H 1.952721 -1.367060 0.803199
H -1.639065 1.369271 -0.013085
H -1.869988 0.561067 1.537013
H 5.102004 1.888928 0.540528
H 5.043247 1.593138 -1.234756
H 6.180927 0.670079 -0.194594
H 4.123998 -0.792997 -1.968297
H 3.570226 -1.877831 -0.650838
H 5.309742 -1.519001 -0.822904
H -3.123978 -1.303180 0.449106
H -2.461555 -0.887022 -1.129862
H -5.935352 0.189275 -0.949785


