%chk=000213083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213083

0 1
O 2.437567 2.064895 -0.133676
O -1.536841 1.668833 0.621768
O 2.984587 1.291296 1.962536
O -2.979259 0.903771 -0.997451
N 3.497278 3.458101 1.285250
N -3.689082 1.305957 1.185252
C 0.537856 0.531556 0.153413
C 0.098740 -0.887720 -0.124509
C 1.916923 0.749236 -0.492178
C -0.426265 1.624134 -0.324898
C 0.620544 -1.914598 0.680912
C -0.785900 -1.216197 -1.159569
C -0.615547 -3.572397 -0.590285
C 0.269010 -3.244211 0.450127
C -1.140681 -2.546696 -1.390883
C -0.985537 -4.996210 -0.852006
C 2.971907 2.185257 1.143031
C -2.764021 1.228238 0.152606
H 0.644915 0.654495 1.270586
H 1.878824 0.828816 -1.593754
H 2.642762 -0.024723 -0.182147
H 0.018814 2.633040 -0.224868
H -0.800526 1.469510 -1.354074
H 1.305386 -1.673072 1.495137
H -1.227763 -0.431884 -1.781989
H 0.682644 -4.028249 1.081056
H -1.833160 -2.783690 -2.196782
H -2.038932 -5.100786 -1.145533
H -0.377924 -5.411560 -1.669710
H -0.831807 -5.639163 0.024309
H 3.371225 4.157708 0.571862
H 3.811126 3.764775 2.193479
H -3.377878 1.453935 2.133571
H -4.581887 0.849201 1.065816


%chk=000213083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213083

0 1
O 2.429554 2.145115 -0.124480
O -1.718812 1.558294 0.700378
O 3.388872 1.112664 1.773244
O -3.119263 1.323519 -1.193022
N 3.683012 3.395396 1.301618
N -3.948781 1.277280 1.001341
C 0.494567 0.573980 0.228523
C 0.067025 -0.871296 -0.048328
C 1.838511 0.833844 -0.503250
C -0.520723 1.656344 -0.167978
C 0.675150 -1.909556 0.704576
C -0.861133 -1.233030 -1.056872
C -0.554844 -3.631629 -0.554609
C 0.368717 -3.264257 0.457920
C -1.165873 -2.591392 -1.299457
C -0.867642 -5.090278 -0.843181
C 3.194334 2.130319 1.062201
C -2.955986 1.376832 0.052999
H 0.695462 0.671079 1.312788
H 1.701493 0.904542 -1.595554
H 2.557369 0.033509 -0.260880
H -0.090955 2.656192 0.011194
H -0.839138 1.583144 -1.223401
H 1.390486 -1.648745 1.495445
H -1.377094 -0.464690 -1.643264
H 0.848517 -4.046422 1.059245
H -1.895995 -2.844872 -2.078302
H -1.934138 -5.234014 -1.093389
H -0.277487 -5.461747 -1.703680
H -0.629853 -5.734389 0.021526
H 3.485969 4.156015 0.655757
H 4.259800 3.547439 2.123970
H -3.718134 1.305146 1.991425
H -4.905889 1.137261 0.691894


