%chk=000240578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240578

0 1
O -4.318825 -0.381529 0.720927
O -3.756463 -0.551522 -1.494379
N -1.239718 0.493608 -0.618570
N -2.416106 0.615888 0.103194
C 1.023336 0.979460 -1.172878
C 2.168445 0.294893 -0.476161
C -0.165200 1.133785 -0.249896
C 3.341719 1.000605 -0.174620
C 2.063032 -1.062293 -0.132417
C 0.011791 1.987179 0.965980
C 4.401996 0.350608 0.464934
C 3.124749 -1.704816 0.507319
C 4.296115 -1.000280 0.807637
C -3.489342 -0.176515 -0.384294
C -5.620817 -0.952613 0.426088
H 0.741162 0.399099 -2.085812
H 1.312580 1.981850 -1.555017
H 3.434527 2.051083 -0.440735
H 1.151603 -1.611484 -0.368790
H -0.678688 2.843717 0.960993
H -0.158609 1.420253 1.892484
H 1.030569 2.396153 1.042405
H 5.313401 0.900241 0.694919
H 3.041191 -2.758171 0.771194
H 5.122531 -1.503972 1.304462
H -2.381655 0.767451 1.123389
H -5.512530 -1.828261 -0.224087
H -6.243799 -0.188247 -0.048281
H -5.990592 -1.224468 1.420612


%chk=000240578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240578

0 1
O -4.498389 -0.105682 0.672358
O -3.681176 -0.934850 -1.382158
N -1.233581 0.400233 -0.686800
N -2.379300 0.388928 0.105688
C 1.043966 1.044813 -1.122442
C 2.245364 0.349344 -0.478837
C -0.184037 1.051976 -0.226181
C 3.457407 1.045027 -0.244933
C 2.161243 -1.018005 -0.106674
C -0.122891 1.784943 1.103921
C 4.564780 0.391894 0.345554
C 3.264534 -1.673078 0.482483
C 4.471188 -0.969706 0.712101
C -3.515421 -0.286941 -0.330176
C -5.789660 -0.760610 0.384605
H 0.760961 0.539280 -2.063303
H 1.319187 2.088513 -1.373618
H 3.538766 2.100687 -0.533824
H 1.227745 -1.565231 -0.286414
H -0.840469 2.629935 1.136056
H -0.354858 1.114536 1.955808
H 0.886379 2.189606 1.276032
H 5.496453 0.943299 0.516384
H 3.186614 -2.730602 0.759695
H 5.327870 -1.478213 1.168441
H -2.440211 0.866905 1.012755
H -5.656406 -1.851576 0.287701
H -6.222762 -0.366428 -0.550419
H -6.426892 -0.517297 1.246797


