%chk=000257224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257224

0 1
O 0.072977 -0.008015 1.952830
N -0.666052 -0.004016 -0.205229
N -3.717978 -0.017728 -1.866307
C -2.107044 -0.016008 0.222556
C -2.414777 -1.293846 1.053929
C -2.432568 1.250065 1.065149
C -2.215649 -2.589452 0.279571
C -2.251605 2.555074 0.302170
C -0.373777 0.002165 -1.656898
C 0.347000 -0.000934 0.761087
C -2.993232 -0.016816 -0.967908
C 1.765521 0.011411 0.270380
C 2.421017 1.233814 0.078637
C 2.440097 -1.199602 0.072696
C 3.759703 1.241065 -0.324007
C 3.778712 -1.183887 -0.329957
C 4.437020 0.034319 -0.529606
H -3.454022 -1.237284 1.433458
H -1.762719 -1.290212 1.959093
H -1.780476 1.247646 1.970283
H -3.470943 1.175610 1.443968
H -1.190950 -2.683533 -0.099405
H -2.895365 -2.668459 -0.577694
H -2.403773 -3.458654 0.922718
H -2.933095 2.632503 -0.553826
H -2.450738 3.415918 0.953188
H -1.228625 2.666284 -0.076826
H -0.792175 -0.896915 -2.144059
H 0.710368 0.010470 -1.859558
H -0.804769 0.898097 -2.138873
H 1.893350 2.171595 0.251172
H 1.927227 -2.146376 0.240690
H 4.276563 2.188321 -0.472170
H 4.310352 -2.122186 -0.482753
H 5.481023 0.043265 -0.841095


%chk=000257224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257224

0 1
O 0.110191 -0.478740 1.875122
N -0.703142 -0.089996 -0.286087
N -3.816355 0.552234 -1.774167
C -2.124854 -0.004859 0.226731
C -2.600359 -1.359710 0.865810
C -2.292663 1.162095 1.266573
C -2.490713 -2.585373 -0.060707
C -1.844110 2.543147 0.753547
C -0.495169 -0.199599 -1.749711
C 0.331037 -0.237969 0.640898
C -3.025193 0.303217 -0.916593
C 1.756249 -0.069305 0.168042
C 2.162905 1.012377 -0.656117
C 2.737601 -0.947290 0.694774
C 3.528313 1.200025 -0.963214
C 4.099345 -0.771477 0.370773
C 4.498609 0.302558 -0.459940
H -3.651320 -1.219521 1.184533
H -1.987852 -1.506450 1.771080
H -1.722115 0.879873 2.166824
H -3.363836 1.191057 1.542898
H -1.443093 -2.769802 -0.360506
H -3.102794 -2.468259 -0.974291
H -2.846754 -3.488889 0.465586
H -2.401940 2.845071 -0.151984
H -2.020386 3.310031 1.528648
H -0.765112 2.552250 0.516587
H -1.175084 -0.960450 -2.171462
H 0.538221 -0.512453 -1.953206
H -0.687430 0.757747 -2.267387
H 1.418314 1.721263 -1.036207
H 2.419387 -1.749035 1.369151
H 3.834381 2.046514 -1.587630
H 4.849050 -1.461716 0.772618
H 5.557270 0.445135 -0.703583


