%chk=000211783.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211783

0 1
O -0.616240 0.046175 0.993855
O -1.865580 -1.480510 -0.112818
O 5.530424 -1.324316 0.410042
O 3.586048 -2.268443 0.338158
O -6.076504 1.352283 -0.985366
O -5.475372 1.719738 1.142490
N 2.310587 0.158352 -0.346356
N 4.367458 1.160255 -0.211393
N 4.333816 -1.297245 0.244302
C 1.257352 -0.870343 -0.300259
C 2.136797 1.511645 -0.614958
C 0.512315 -0.874211 1.037232
C 3.696381 -0.024189 -0.091320
C 3.424849 2.103370 -0.529777
C 0.838002 2.135518 -0.915625
C -2.847062 0.647666 0.624341
C -1.795118 -0.404230 0.426298
C -3.992705 0.465912 -0.366792
C -5.203032 1.237764 0.069927
H 1.723366 -1.882894 -0.470502
H 0.541320 -0.714651 -1.143108
H 0.143163 -1.888781 1.285610
H 1.104025 -0.463932 1.879043
H 3.681743 3.139917 -0.683493
H 0.063133 1.837166 -0.184436
H 0.904587 3.235394 -0.882949
H 0.474310 1.866124 -1.920103
H -2.409371 1.668456 0.556345
H -3.225990 0.588167 1.677858
H -4.264208 -0.616548 -0.465277
H -3.694408 0.764578 -1.397183
H -6.912286 1.839014 -0.744383


%chk=000211783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211783

0 1
O -0.490783 -0.378858 1.001525
O -1.857077 -1.301197 -0.649154
O 5.301518 -0.579441 1.514488
O 3.523595 -1.948608 1.061742
O -5.855513 2.017236 -0.574393
O -5.343913 1.371769 1.596994
N 2.235413 0.164034 -0.335987
N 3.940905 1.552843 0.306581
N 4.140114 -0.793997 1.012264
C 1.389111 -1.036472 -0.530301
C 1.940778 1.437738 -0.836946
C 0.546107 -1.406859 0.699277
C 3.459241 0.294381 0.349456
C 3.006357 2.265478 -0.423241
C 0.731531 1.767358 -1.657214
C -2.701208 0.528578 0.788659
C -1.684143 -0.472207 0.275139
C -3.792381 0.827033 -0.253694
C -5.034769 1.414355 0.385942
H 2.040822 -1.894147 -0.758158
H 0.729511 -0.855297 -1.393746
H 0.049875 -2.374438 0.507853
H 1.159475 -1.463852 1.608271
H 3.133812 3.327764 -0.618993
H -0.206549 1.571453 -1.107754
H 0.753371 2.837367 -1.918886
H 0.694230 1.193124 -2.602005
H -2.182140 1.442552 1.124777
H -3.170803 0.103951 1.698314
H -4.082075 -0.110638 -0.767692
H -3.439836 1.508626 -1.047176
H -6.682775 2.357573 -0.136538


