%chk=000234487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234487

0 1
O -2.970371 -0.412287 -0.686981
O -3.953875 -0.555894 1.380283
O 2.717054 2.393443 1.033448
O 4.496114 -0.202797 -2.349037
N 0.423288 0.309448 1.198465
N 2.544625 -0.965380 -1.398760
N -1.345213 -1.388469 1.540315
N 3.611548 1.095179 -0.646544
N 0.433976 -1.540632 -0.184601
C 1.581289 0.390438 0.389887
C 1.543943 -0.753578 -0.452441
C -0.230292 -0.877116 0.842610
C 2.613001 1.388787 0.353104
C -2.312457 -2.171080 0.727840
C 3.619933 -0.030418 -1.520845
C -3.515230 -1.327047 0.249815
C 0.088982 1.252696 2.266437
C 2.504162 -2.161292 -2.274267
C 4.760740 2.031427 -0.786603
C -3.898533 0.555536 -1.256009
C -5.381134 -0.557181 1.651752
C -3.058186 1.293096 -2.280474
C -5.549073 0.473809 2.751827
H -2.678289 -2.998358 1.380293
H -1.810872 -2.641241 -0.154937
H -1.839032 -0.682460 2.112101
H -4.335850 -1.920882 -0.191963
H 0.153164 0.775781 3.260691
H 0.807457 2.106241 2.258024
H -0.925366 1.665765 2.121337
H 3.367223 -2.155535 -2.966994
H 1.569460 -2.169991 -2.862709
H 2.538728 -3.081378 -1.663943
H 4.516124 2.997919 -0.307189
H 4.990365 2.203865 -1.852935
H 5.658310 1.613326 -0.300524
H -4.746109 0.014774 -1.708589
H -4.248355 1.209712 -0.438042
H -5.927686 -0.286403 0.732469
H -5.664798 -1.573515 1.977622
H -3.620484 2.101539 -2.758421
H -2.161431 1.727362 -1.813829
H -2.695099 0.613470 -3.063771
H -6.597682 0.571643 3.054526
H -4.962710 0.204577 3.641305
H -5.192361 1.461602 2.429356


%chk=000234487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234487

0 1
O -3.636327 -0.154375 -1.099240
O -3.998726 -0.353340 1.271049
O 3.373521 2.270262 1.377991
O 5.210461 -0.675792 -1.825304
N 0.723580 0.634946 1.021088
N 2.962763 -0.999055 -1.226139
N -1.363391 -0.573065 0.822372
N 4.270948 0.768479 -0.234608
N 0.628675 -1.146367 -0.434981
C 2.002905 0.512556 0.423115
C 1.891312 -0.578498 -0.452902
C -0.057899 -0.377527 0.472099
C 3.199951 1.270840 0.601490
C -2.201090 -1.590841 0.189045
C 4.206254 -0.324500 -1.137086
C -3.631810 -1.056949 0.022172
C 0.308578 1.642772 2.003339
C 2.817759 -2.143166 -2.144296
C 5.579660 1.454318 -0.157700
C -4.964265 0.416361 -1.412479
C -5.270485 -0.781000 1.893513
C -4.820227 1.216693 -2.705039
C -5.496509 0.101331 3.119669
H -2.239423 -2.513425 0.803855
H -1.771852 -1.849600 -0.792351
H -1.834390 0.039545 1.490829
H -4.354842 -1.891126 -0.141746
H -0.010039 1.165405 2.949301
H 1.175502 2.291500 2.205897
H -0.519770 2.260351 1.608213
H 3.775771 -2.269926 -2.669275
H 2.007020 -1.946694 -2.865851
H 2.569841 -3.056803 -1.577639
H 5.479499 2.259882 0.584672
H 5.851861 1.867679 -1.143047
H 6.364241 0.741389 0.144917
H -5.700101 -0.411419 -1.529957
H -5.289131 1.062442 -0.572837
H -6.101224 -0.668134 1.165799
H -5.204297 -1.850719 2.183468
H -5.785299 1.680022 -2.979788
H -4.070933 2.016723 -2.578897
H -4.493276 0.565746 -3.533657
H -6.439336 -0.178127 3.623938
H -4.669556 -0.014437 3.841463
H -5.556905 1.164143 2.828624


