%chk=000290412.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290412

0 1
O -3.649699 1.779959 0.171873
O -1.471237 2.111728 -0.378370
O -0.237633 -3.005709 1.164449
O 5.043414 1.642134 -1.660813
O 5.699413 -0.340476 -1.104129
N -2.998621 -0.626393 -0.605055
N -1.952607 -2.783521 -0.339149
N -3.865971 -2.557110 -1.738661
N 4.880972 0.565711 -1.104160
C -1.108853 -0.795430 0.878636
C -0.049963 -0.240813 1.778624
C -2.079514 -0.047736 0.290087
C -2.301203 1.438591 0.557509
C 1.229002 -0.034620 1.002988
C -1.028932 -2.269983 0.618044
C 1.460919 1.177272 0.331504
C 2.183920 -1.063631 0.949258
C -2.875026 -2.011717 -0.890907
C 2.652847 1.376887 -0.360028
C 3.379325 -0.875566 0.259996
C 3.613187 0.351732 -0.382894
C -4.570663 1.967665 1.264387
C -1.587765 3.554672 -0.360358
H 0.125377 -0.960145 2.617686
H -0.367854 0.702216 2.266517
H -2.084290 1.741939 1.600827
H -3.747907 -0.036541 -0.985406
H 0.690071 1.951804 0.324320
H 1.968761 -2.026959 1.427784
H 2.850021 2.316078 -0.886437
H 4.132898 -1.669164 0.211105
H -3.735405 -3.551086 -1.941393
H -4.101071 -2.027306 -2.569419
H -5.501612 2.239345 0.747531
H -4.240286 2.784298 1.912740
H -4.696738 1.034251 1.821802
H -2.626826 3.851771 -0.538920
H -0.948751 3.844745 -1.205075
H -1.206700 3.953306 0.582610


%chk=000290412-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290412

0 1
O -3.830347 1.847694 0.318313
O -1.696008 2.291135 -0.569118
O -0.250338 -2.924389 1.006970
O 5.212058 1.255752 -1.902038
O 6.060620 -0.418462 -0.607186
N -3.055781 -0.505709 -0.680694
N -2.017359 -2.659231 -0.513846
N -3.827929 -2.340805 -1.961421
N 5.095163 0.355750 -0.980204
C -1.143191 -0.700938 0.762052
C -0.055899 -0.184123 1.683228
C -2.139687 0.070535 0.209461
C -2.385891 1.551863 0.451087
C 1.293229 -0.056489 0.968970
C -1.096288 -2.165478 0.439446
C 1.472658 0.906786 -0.060234
C 2.376688 -0.899160 1.325556
C -2.933233 -1.846290 -1.033901
C 2.715731 1.048197 -0.704143
C 3.628286 -0.772671 0.692164
C 3.782068 0.207689 -0.312511
C -4.586382 1.611790 1.561510
C -1.799576 3.756945 -0.402021
H 0.051362 -0.902977 2.514311
H -0.332706 0.798027 2.111392
H -2.057727 1.858860 1.470911
H -3.820898 0.101083 -0.995505
H 0.626998 1.534065 -0.366768
H 2.224054 -1.672093 2.084668
H 2.877422 1.783962 -1.496323
H 4.474115 -1.414488 0.951555
H -3.725792 -3.324475 -2.201350
H -4.456780 -1.750897 -2.499772
H -5.623144 1.907937 1.342097
H -4.190363 2.232115 2.389700
H -4.558990 0.544617 1.857646
H -2.849793 4.081705 -0.490372
H -1.194222 4.185762 -1.213747
H -1.387130 4.068603 0.579222


