%chk=000270222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270222

0 1
O 1.796707 0.707023 0.572145
O 0.594333 -2.150576 1.894868
O 2.389965 -1.120829 -0.731833
O -0.942133 3.063497 0.515551
O -1.091736 -1.140664 -1.576710
N -1.765911 -0.266184 0.418564
C -0.394101 -0.137283 0.954689
C 0.403785 1.051614 0.343073
C 0.541583 -1.356614 0.707372
C 1.952000 -0.729324 0.560278
C 0.210353 2.397720 1.048667
C -2.759450 0.554400 1.158857
C -1.997959 -0.655963 -0.916946
C 3.696128 -0.626727 -1.099516
C -3.397116 -0.537989 -1.451676
H -0.471159 -0.013627 2.071606
H 0.247939 1.125465 -0.755347
H 0.268087 -1.969297 -0.184463
H 2.685459 -0.954714 1.352785
H 1.109497 3.032529 0.938141
H -0.028616 2.295871 2.123475
H -2.637801 0.404634 2.245507
H -3.789361 0.259991 0.910360
H -2.628008 1.635777 0.945542
H -0.052377 -2.884732 1.836097
H -0.765151 3.376979 -0.395640
H 3.719753 0.465276 -1.023625
H 3.785124 -0.951015 -2.143302
H 4.462342 -1.091215 -0.473561
H -3.437782 -0.962344 -2.469593
H -4.127330 -1.089915 -0.845583
H -3.728967 0.505733 -1.524281


%chk=000270222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270222

0 1
O 1.855102 0.770564 0.512240
O 0.194107 -2.162430 1.665509
O 2.564561 -1.265980 -0.616236
O -1.124061 3.049808 0.410878
O -1.216402 -0.445511 -1.834659
N -1.800380 -0.062756 0.380715
C -0.385290 0.039848 0.792147
C 0.466568 1.159186 0.133519
C 0.465263 -1.232359 0.566448
C 1.921241 -0.708967 0.550938
C 0.242346 2.570880 0.687048
C -2.789652 0.217535 1.439938
C -2.124222 -0.298456 -0.947925
C 3.976836 -0.875301 -0.743587
C -3.603053 -0.385537 -1.323227
H -0.379439 0.220822 1.884076
H 0.352349 1.126061 -0.966946
H 0.247321 -1.675132 -0.421561
H 2.488177 -0.955386 1.472617
H 1.002909 3.261209 0.269510
H 0.331611 2.572096 1.785628
H -2.574134 -0.406767 2.325263
H -3.807585 -0.016877 1.098600
H -2.747266 1.286050 1.724219
H 0.469145 -3.072382 1.392302
H -1.241697 3.129913 -0.569671
H 4.068274 0.218339 -0.871042
H 4.352741 -1.394793 -1.637978
H 4.558490 -1.192236 0.147429
H -3.654202 -0.575190 -2.405488
H -4.115885 -1.210114 -0.794981
H -4.145677 0.551359 -1.100223


