%chk=000273998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273998

0 1
O -5.416053 -0.300089 -1.233169
N 5.541471 -0.453032 -0.242920
N -0.921655 -0.158694 0.175652
N -2.230581 0.110674 0.369723
C 4.166790 -0.128270 -0.096132
C 3.683393 1.147047 -0.483809
C 3.231152 -1.108857 0.314667
C 1.392910 0.439049 -0.066431
C 2.320792 1.417157 -0.470187
C 1.870306 -0.825931 0.322758
C 6.508207 0.678554 -0.237253
C 6.048370 -1.617746 0.532545
C -0.039287 0.771519 -0.061302
C -4.531003 -0.042895 -0.159615
C -5.243968 0.267517 0.973593
C -3.131654 -0.172723 -0.529241
C -6.639176 0.208147 0.618912
C -6.698648 -0.133664 -0.707165
H 4.374644 1.921054 -0.808932
H 3.565916 -2.098768 0.616403
H 1.971319 2.403977 -0.776508
H 1.158593 -1.594294 0.639511
H 6.564069 1.206201 0.727937
H 7.513935 0.304518 -0.490695
H 6.231975 1.407055 -1.020452
H 6.024794 -1.466246 1.623266
H 5.449227 -2.513781 0.289525
H 7.085902 -1.837416 0.231409
H -0.281086 1.825969 -0.274385
H -4.846958 0.507265 1.943405
H -7.455150 0.399674 1.288884
H -2.950122 -0.509697 -1.563402
H -7.469526 -0.301776 -1.425492


%chk=000273998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273998

0 1
O -5.505904 -1.268790 -0.081619
N 5.597088 -0.349354 0.006416
N -0.948604 -0.151369 -0.019820
N -2.261087 0.408208 0.001233
C 4.229510 -0.074942 0.007635
C 3.741086 1.272125 0.061267
C 3.259604 -1.134834 -0.043791
C 1.402073 0.483248 0.013998
C 2.363167 1.533305 0.063640
C 1.888809 -0.857737 -0.040231
C 6.569921 0.749826 0.071080
C 6.072742 -1.738874 -0.052436
C -0.019228 0.794972 0.021686
C -4.591173 -0.182245 -0.028386
C -5.312129 1.013530 0.027624
C -3.192415 -0.532361 -0.041703
C -6.711207 0.672845 0.009192
C -6.791373 -0.712553 -0.057269
H 4.439796 2.112002 0.100835
H 3.587790 -2.177130 -0.085574
H 2.016619 2.573927 0.105099
H 1.157583 -1.671953 -0.078596
H 6.446629 1.352398 0.993528
H 7.590642 0.336782 0.070288
H 6.477651 1.432507 -0.797914
H 5.724198 -2.330424 0.817971
H 5.729719 -2.251453 -0.973538
H 7.173788 -1.749100 -0.049789
H -0.319142 1.858091 0.065039
H -4.867828 2.004739 0.075611
H -7.552827 1.362003 0.040892
H -2.933711 -1.603369 -0.088663
H -7.612891 -1.422526 -0.092602


