%chk=000093699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000093699

0 1
O -2.153601 -0.206517 -0.483213
O -5.183538 1.131650 -1.771091
O 3.276875 0.594139 0.046501
N -6.347158 -0.750310 0.141617
C -5.016327 -0.110131 0.344514
C -4.397294 0.175914 -1.039206
C -6.288818 -2.231646 -0.068235
C -3.027262 0.868843 -0.929809
C -7.683579 -2.689388 -0.515268
C -5.836784 -3.006576 1.180250
C -0.801285 0.066647 -0.381922
C -0.048702 -1.060094 -0.005471
C -0.202935 1.315778 -0.609433
C 1.929691 0.310287 -0.075031
C 1.331287 -0.937698 0.150950
C 1.175440 1.437377 -0.455595
C 4.170653 -0.512089 0.374751
C 5.545237 0.095672 0.444899
C 6.665102 -0.724098 0.238040
C 5.715344 1.455897 0.735170
C 7.948815 -0.180011 0.328173
C 7.002357 1.994614 0.817457
C 8.119731 1.178249 0.617108
H -4.300323 -0.718964 0.941485
H -5.156837 0.846143 0.893822
H -4.324835 -0.751520 -1.652534
H -5.558231 -2.426232 -0.897935
H -6.960356 -0.527801 0.932067
H -2.695699 1.241751 -1.915438
H -3.012490 1.683004 -0.188296
H -8.032297 -2.101611 -1.374616
H -8.431292 -2.578294 0.276858
H -7.673847 -3.742417 -0.814647
H -6.514664 -2.857574 2.026499
H -5.802369 -4.083697 0.982903
H -4.833323 -2.705848 1.501287
H -6.140708 0.900973 -1.680943
H -0.551874 -2.011191 0.157250
H -0.789831 2.181930 -0.902900
H 1.915341 -1.805000 0.442724
H 1.681489 2.386471 -0.625360
H 3.867282 -0.932082 1.352648
H 4.085223 -1.275242 -0.420222
H 6.540616 -1.779676 0.006721
H 4.837280 2.087411 0.884755
H 8.818522 -0.815601 0.170031
H 7.132999 3.052759 1.038676
H 9.121176 1.598695 0.684007


%chk=000093699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093699

0 1
O -1.979689 -0.611494 -0.493082
O -5.260553 0.710260 -1.512665
O 3.491015 0.722760 -0.110307
N -6.277006 -0.788989 0.396326
C -4.791222 -0.713793 0.420211
C -4.313998 -0.275240 -0.998538
C -6.886089 -2.054516 -0.116072
C -2.938006 0.392466 -0.985440
C -8.378035 -1.804806 -0.415112
C -6.698617 -3.255127 0.847044
C -0.626868 -0.231575 -0.415666
C 0.266038 -1.221704 0.053448
C -0.131928 1.049554 -0.772698
C 2.137804 0.334829 -0.183467
C 1.644035 -0.946938 0.171170
C 1.245114 1.324153 -0.654881
C 4.447461 -0.268033 0.395698
C 5.824178 0.367419 0.461656
C 6.972880 -0.462353 0.441667
C 5.984872 1.768481 0.585416
C 8.264679 0.097608 0.557531
C 7.277687 2.329118 0.693821
C 8.421179 1.497357 0.684770
H -4.291761 -1.657028 0.716643
H -4.503573 0.066872 1.149024
H -4.274043 -1.161183 -1.669343
H -6.370545 -2.282091 -1.069459
H -6.704541 -0.505555 1.287671
H -2.668493 0.715660 -2.010206
H -2.952942 1.279105 -0.318670
H -8.497951 -0.985480 -1.144993
H -8.921333 -1.525949 0.509129
H -8.855365 -2.713929 -0.822734
H -7.254781 -3.086291 1.789455
H -7.078444 -4.188340 0.391794
H -5.633940 -3.412393 1.098032
H -6.100580 0.486663 -0.984381
H -0.132878 -2.205175 0.320603
H -0.800756 1.832666 -1.140480
H 2.311194 -1.734437 0.533055
H 1.645520 2.305266 -0.928031
H 4.125664 -0.599487 1.407752
H 4.461623 -1.157904 -0.267992
H 6.860833 -1.548898 0.332307
H 5.096414 2.406401 0.580054
H 9.145136 -0.554588 0.540178
H 7.392278 3.415352 0.784039
H 9.422535 1.934200 0.769719


