%chk=000257976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257976

0 1
O -5.107555 1.173063 0.322571
O 5.107531 1.173050 -0.322630
O -3.579833 1.760418 1.736951
O 3.579811 1.760333 -1.737044
N -3.964161 1.155805 0.748517
N 3.964140 1.155765 -0.748582
C -0.702513 -0.454576 -0.232118
C 0.702493 -0.454568 0.232125
C -1.100633 -1.224190 -1.351163
C 1.100613 -1.224130 1.351202
C -1.639421 0.326886 0.450072
C 1.639402 0.326863 -0.450100
C -2.443285 -1.191001 -1.767404
C 2.443265 -1.190924 1.767441
C -2.974160 0.338123 0.019348
C 2.974138 0.338117 -0.019378
C -0.112450 -2.055515 -2.093270
C 0.112435 -2.055417 2.093353
C -3.382264 -0.415671 -1.092247
C 3.382243 -0.415627 1.092250
H -1.341889 0.931750 1.315239
H 1.341869 0.931690 -1.315292
H -2.755260 -1.777448 -2.633133
H 2.755238 -1.777332 2.633197
H -0.582597 -2.800263 -2.750382
H 0.529317 -1.426429 -2.733048
H 0.561753 -2.603126 -1.416486
H -0.529227 -1.426311 2.733216
H -0.561868 -2.602950 1.416606
H 0.582588 -2.800227 2.750390
H -4.429239 -0.386408 -1.415315
H 4.429218 -0.386350 1.415315


%chk=000257976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257976

0 1
O -5.230309 1.081881 0.369558
O 5.230242 1.082140 -0.369400
O -3.622544 1.653962 1.883331
O 3.622497 1.654164 -1.883215
N -4.015837 1.054750 0.808169
N 4.015892 1.054540 -0.808321
C -0.711947 -0.476528 -0.240627
C 0.711946 -0.476535 0.240595
C -1.096653 -1.184429 -1.424488
C 1.096627 -1.184360 1.424509
C -1.679399 0.254625 0.483672
C 1.679424 0.254529 -0.483759
C -2.452988 -1.129196 -1.842970
C 2.452963 -1.129144 1.842987
C -3.015078 0.285024 0.034137
C 3.015105 0.284911 -0.034228
C -0.091641 -1.988857 -2.226186
C 0.091585 -1.988688 2.226272
C -3.421833 -0.399316 -1.129993
C 3.421834 -0.399352 1.129956
H -1.409385 0.812885 1.384466
H 1.409430 0.812731 -1.384594
H -2.750521 -1.672795 -2.746119
H 2.750476 -1.672686 2.746177
H -0.597310 -2.649742 -2.949497
H 0.589475 -1.328872 -2.795671
H 0.547461 -2.609029 -1.572762
H -0.589470 -1.328631 2.795747
H -0.547577 -2.608849 1.572896
H 0.597233 -2.649572 2.949599
H -4.466365 -0.353055 -1.448585
H 4.466367 -0.353105 1.448544


