%chk=000289058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289058

0 1
O -0.595416 -0.362274 2.005963
O -0.372809 1.959742 -2.008553
O 2.080523 -0.227906 -0.377379
O 3.398821 1.305096 0.638990
N -1.819283 0.262277 -1.279558
N -0.215893 1.007374 0.157052
C -1.976883 -0.595614 -0.067884
C -1.695914 -2.081298 -0.372276
C -3.369647 -0.417062 0.567402
C -0.867051 -0.036832 0.881428
C -0.751173 1.164988 -1.181751
C -0.342779 -2.321535 -1.029585
C -3.660529 1.012321 1.007932
C 1.003224 1.688520 0.593829
C 2.296203 0.934519 0.312729
C 3.252264 -1.056060 -0.689813
C 3.629186 -1.873309 0.526267
H -2.502529 -2.485485 -1.016031
H -1.752079 -2.653267 0.579515
H -3.451302 -1.096699 1.443021
H -4.144405 -0.751270 -0.152015
H -2.337694 0.094990 -2.127794
H -0.286350 -1.880972 -2.032286
H 0.485830 -1.888160 -0.446418
H -0.140149 -3.394186 -1.130881
H -2.986740 1.340483 1.810092
H -3.559202 1.726610 0.180711
H -4.684050 1.103818 1.392280
H 1.071486 2.690436 0.090305
H 0.946925 1.873938 1.699316
H 2.857919 -1.661768 -1.525525
H 4.069232 -0.395811 -1.032986
H 4.385655 -2.629315 0.284742
H 4.044737 -1.235453 1.321871
H 2.760472 -2.390838 0.954287


%chk=000289058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289058

0 1
O -0.323934 -0.482458 1.804502
O -0.625926 2.065887 -2.140906
O 2.240369 -0.175639 -0.414507
O 3.325413 1.424088 0.896177
N -1.933984 0.261686 -1.289189
N -0.199108 0.979041 -0.052619
C -1.962138 -0.612614 -0.094863
C -1.752578 -2.116803 -0.444828
C -3.265507 -0.432277 0.742489
C -0.742159 -0.068730 0.694778
C -0.911715 1.191859 -1.286923
C -0.524218 -2.409746 -1.329215
C -3.555443 1.014630 1.188147
C 0.969910 1.760045 0.318266
C 2.299534 0.997171 0.322755
C 3.493987 -0.999373 -0.454875
C 3.563910 -1.926951 0.760504
H -2.675635 -2.484837 -0.937037
H -1.663055 -2.657488 0.516524
H -3.172692 -1.086121 1.630012
H -4.110614 -0.822578 0.140063
H -2.595571 0.202640 -2.060746
H -0.597178 -1.899473 -2.306269
H 0.409148 -2.071926 -0.845125
H -0.441104 -3.495233 -1.517328
H -2.778170 1.384913 1.880745
H -3.606159 1.703009 0.325413
H -4.523002 1.065254 1.718474
H 1.051335 2.588624 -0.410849
H 0.847958 2.194080 1.325367
H 3.403639 -1.553948 -1.402348
H 4.358638 -0.313961 -0.492991
H 4.443354 -2.591269 0.669525
H 3.663988 -1.346411 1.692369
H 2.659307 -2.555091 0.831507


