%chk=000296499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296499

0 1
O 2.488667 -2.598966 0.099553
O 2.399315 2.279105 -0.842260
O 6.312018 -0.099404 0.305080
N -2.161135 0.179017 -0.632851
N -3.657363 -0.274321 1.751031
C 2.165879 -0.160414 -0.354372
C 2.933323 -1.312216 -0.047320
C 2.886662 1.046901 -0.501057
C 0.703443 -0.200788 -0.451263
C 4.967782 -0.025398 0.056756
C 4.317666 -1.263187 0.169424
C 4.276387 1.137247 -0.291967
C -1.556203 -0.031592 0.539188
C -0.092476 -0.025045 0.617874
C -3.552487 0.168187 -0.657970
C -4.304070 -0.058836 0.535566
C -2.334800 -0.259297 1.752343
C -4.240267 0.388026 -1.893002
C -5.732938 -0.063952 0.481733
C -5.612701 0.376904 -1.911386
C -6.363341 0.149885 -0.718695
C 1.145787 -2.983484 -0.272869
C 1.030048 2.468100 -1.269803
C 7.090951 1.120854 0.209424
H 0.296154 -0.375713 -1.454239
H 4.871867 -2.165210 0.415849
H 4.760883 2.099169 -0.410809
H 0.326474 0.140508 1.614034
H -1.820266 -0.428186 2.706661
H -3.649420 0.559676 -2.793600
H -6.286592 -0.239265 1.406052
H -6.155610 0.542317 -2.842752
H -7.451801 0.150057 -0.781394
H 0.432267 -2.607873 0.465999
H 1.214243 -4.079725 -0.226608
H 0.909304 -2.653828 -1.287629
H 0.778125 1.792252 -2.091149
H 1.053500 3.510559 -1.615831
H 0.351505 2.355745 -0.418760
H 6.739172 1.852395 0.942752
H 7.052760 1.514361 -0.810506
H 8.097989 0.762238 0.458673


%chk=000296499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296499

0 1
O 1.892099 -2.219308 0.994644
O 1.679487 1.986693 -1.310953
O 6.037957 -0.083409 -0.235522
N -2.557052 0.331201 -0.341508
N -4.256218 -1.716891 0.781893
C 1.768542 -0.111111 -0.160959
C 2.582922 -1.155846 0.401939
C 2.485457 0.977782 -0.767732
C 0.312658 -0.068617 -0.164989
C 4.637946 -0.020738 -0.248916
C 3.990606 -1.116838 0.361852
C 3.897273 1.038326 -0.820420
C -2.036676 -0.780264 0.251937
C -0.590038 -0.977308 0.341691
C -3.936300 0.439713 -0.384393
C -4.800153 -0.582833 0.176853
C -2.918309 -1.792926 0.807711
C -4.531805 1.588734 -0.996894
C -6.216807 -0.431655 0.111643
C -5.923094 1.714173 -1.048597
C -6.771324 0.701718 -0.493050
C 2.673429 -3.310116 1.585631
C 2.324113 3.132870 -1.950845
C 6.780421 1.019435 -0.850820
H -0.119815 0.818039 -0.643145
H 4.612354 -1.906554 0.787175
H 4.401321 1.882872 -1.292221
H -0.246412 -1.889937 0.833834
H -2.482689 -2.681882 1.281357
H -3.864139 2.349127 -1.414157
H -6.837714 -1.222321 0.545031
H -6.374645 2.595265 -1.518289
H -7.859151 0.820296 -0.544433
H 3.293810 -3.816950 0.822316
H 1.925766 -4.011798 1.983618
H 3.316349 -2.941250 2.407328
H 2.930766 2.819517 -2.822828
H 2.957069 3.691870 -1.234296
H 1.494882 3.771643 -2.287824
H 6.571916 1.979604 -0.340120
H 6.545273 1.110413 -1.929085
H 7.840626 0.756064 -0.724560


