%chk=000219657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219657

0 1
O -0.154181 -4.605500 0.185507
O -0.440044 -3.185695 1.890502
N 0.801804 -1.480493 -0.291888
N -2.511873 1.232286 -0.065623
N -2.394187 3.274693 -1.249035
N -4.523736 2.588671 -0.385657
C -1.772969 -1.702389 -0.534469
C -2.223847 -1.046836 0.776241
C -0.375841 -2.345713 -0.462008
C -3.227818 0.094257 0.541384
C -0.323566 -3.337373 0.700916
C 0.723531 -0.190542 -0.305667
C 1.961758 0.611034 -0.145029
C 1.847620 1.929042 0.331210
C 3.226667 0.091215 -0.459812
C -3.131801 2.302713 -0.481388
C 2.990277 2.715933 0.486395
C 4.366068 0.886457 -0.306689
C 4.249955 2.197310 0.164744
H -2.511756 -2.465031 -0.849071
H -1.768941 -0.946820 -1.351056
H -1.348225 -0.661180 1.341832
H -2.676292 -1.805511 1.445488
H -0.193698 -2.919767 -1.422672
H -4.062445 -0.256653 -0.107913
H -3.680976 0.384733 1.516640
H -0.200657 0.413073 -0.420559
H 0.869383 2.331490 0.590705
H 3.314437 -0.937872 -0.815171
H -0.091723 -5.304325 0.887547
H 2.902147 3.733845 0.860932
H 5.346040 0.480129 -0.551909
H 5.138794 2.813971 0.284853
H -1.458259 2.957029 -1.500125
H -2.342840 4.190860 -0.817565
H -4.852701 3.469759 -0.752988
H -4.995004 2.304800 0.459099


%chk=000219657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219657

0 1
O -0.888288 -4.635005 -0.043365
O 0.057733 -3.400394 1.681812
N 0.893960 -1.520319 -0.352914
N -2.417518 1.210393 -0.070064
N -2.495671 3.234088 -1.265630
N -4.414955 2.587775 -0.078170
C -1.716046 -1.638650 -0.545755
C -2.164626 -1.074551 0.825376
C -0.322097 -2.344475 -0.549703
C -3.119134 0.127705 0.658627
C -0.321103 -3.462048 0.496111
C 0.807291 -0.218011 -0.278281
C 2.015833 0.622685 -0.119974
C 1.858555 2.027103 0.030263
C 3.323923 0.064967 -0.110123
C -3.092804 2.278828 -0.429965
C 2.987104 2.862105 0.184324
C 4.448681 0.899258 0.041108
C 4.285023 2.300223 0.187382
H -2.463178 -2.360935 -0.925910
H -1.670148 -0.804971 -1.272472
H -1.289819 -0.742545 1.412232
H -2.664341 -1.860553 1.423970
H -0.199036 -2.842794 -1.531180
H -4.040333 -0.201021 0.118182
H -3.438911 0.460761 1.673594
H -0.150958 0.339329 -0.319804
H 0.846171 2.451484 0.041921
H 3.422385 -1.020187 -0.217372
H -0.921907 -5.330703 0.668483
H 2.858278 3.943764 0.305322
H 5.455036 0.465226 0.048187
H 5.162642 2.946079 0.306113
H -1.563084 2.998789 -1.600455
H -2.726002 4.219960 -1.153468
H -4.967574 3.225385 -0.646367
H -4.899983 2.002856 0.595667


