%chk=000243958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243958

0 1
O 3.864322 0.301038 0.748561
O 2.524758 -3.621199 -0.099858
N -0.771168 -0.577933 -0.281241
N 0.140647 1.653458 -0.201526
N 1.733548 -1.623225 0.613154
N 2.482856 2.062188 0.253541
N 1.065982 3.853797 -0.446777
C -4.622430 -0.852348 -0.010144
C -3.138150 -1.275793 -0.086208
C -2.177352 -0.085308 -0.190303
C -4.916978 -0.031724 1.249808
C -5.067797 -0.102859 -1.269982
C 0.317448 0.257210 -0.016939
C 1.571393 -0.227398 0.337122
C 1.301243 2.498953 -0.090842
C 2.746223 0.657375 0.466711
C 2.211825 -2.484629 -0.401607
H -5.219441 -1.801285 0.052242
H -3.000922 -1.947731 -0.958938
H -2.895112 -1.886905 0.806817
H -2.313813 0.591091 0.684004
H -2.399349 0.500282 -1.112722
H -4.429391 0.947859 1.232155
H -5.993515 0.149759 1.356901
H -4.585580 -0.550637 2.156269
H -4.826614 -0.664252 -2.179785
H -6.152824 0.058300 -1.267595
H -4.600042 0.882689 -1.355576
H -0.638204 -1.561624 -0.006073
H -0.703059 2.003001 -0.655930
H 1.974468 -1.845759 1.582737
H 0.280772 4.303280 0.012036
H 1.907069 4.435618 -0.387499
H 2.189086 -2.088589 -1.426313


%chk=000243958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243958

0 1
O 3.974765 0.354928 0.846349
O 2.034802 -3.793518 -0.304507
N -0.716795 -0.522263 0.077532
N 0.228001 1.659729 -0.087221
N 2.032689 -1.564423 0.428865
N 2.566452 2.139752 0.218288
N 1.065285 3.864454 -0.299046
C -4.578306 -0.875144 -0.075005
C -3.069084 -1.240078 -0.000537
C -2.103175 -0.034713 -0.003908
C -5.060120 -0.080973 1.164010
C -4.946386 -0.141094 -1.387810
C 0.415462 0.277103 0.082168
C 1.721762 -0.182728 0.251648
C 1.333448 2.527609 -0.051980
C 2.832711 0.765094 0.461497
C 1.663119 -2.595121 -0.428245
H -5.119910 -1.843627 -0.076367
H -2.811089 -1.893026 -0.858002
H -2.891331 -1.828848 0.923176
H -2.344603 0.635110 0.850935
H -2.244451 0.538763 -0.943124
H -4.621524 0.934515 1.196869
H -6.158684 0.038643 1.144962
H -4.793089 -0.598163 2.104453
H -4.593910 -0.698543 -2.275701
H -6.042218 -0.026390 -1.474314
H -4.508504 0.874725 -1.425394
H -0.577437 -1.491228 0.368969
H -0.720663 2.029006 -0.157280
H 2.840007 -1.735768 1.046244
H 0.200448 4.193290 -0.720193
H 1.864832 4.491777 -0.245595
H 0.987392 -2.252149 -1.245533


