%chk=000193304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193304

0 1
O 0.081149 1.761070 -0.462862
O -2.909082 0.085140 1.643032
O 5.275682 1.004412 0.571255
O 3.991779 -0.660917 1.342913
O 0.105522 -2.920792 -0.369599
O -2.115160 -2.939187 -0.085531
N -0.896564 -0.021488 0.587151
N -3.072819 0.956569 -1.423094
N 3.947406 -1.397573 -1.612638
C 2.462746 0.552268 -1.163530
C 1.414619 -0.235716 -0.373248
C -2.672542 1.673016 -0.186690
C 3.885031 -0.030706 -1.062520
C 0.182936 0.597920 -0.126091
C -2.220192 0.556369 0.767059
C -3.796334 2.498226 0.472585
C -0.713885 -1.354731 1.207341
C -3.258814 3.396965 1.580027
C 4.337165 0.021968 0.406918
C -1.059217 -2.451373 0.212488
H 2.472982 1.615703 -0.834712
H 2.170997 0.582398 -2.237343
H 1.142589 -1.168307 -0.928302
H 1.835938 -0.596454 0.596241
H -1.803684 2.358755 -0.423143
H 4.581223 0.620226 -1.669136
H -4.299939 3.112191 -0.299070
H -4.573770 1.821277 0.887589
H -1.408413 -1.454053 2.091467
H 0.321566 -1.485515 1.601293
H -2.478499 4.076776 1.217881
H -4.057541 4.013738 2.009667
H -2.831439 2.808154 2.402692
H -4.003477 0.555335 -1.340480
H -3.068880 1.582640 -2.221956
H 4.891412 -1.772014 -1.585346
H 3.337266 -2.039401 -1.112462
H 5.594186 1.093928 1.510903
H -0.058242 -3.651116 -1.025547


%chk=000193304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193304

0 1
O -0.102729 1.448547 -1.305285
O -3.157236 -0.087780 1.101832
O 5.127415 1.485607 0.248832
O 4.336872 -0.413850 1.328988
O -0.723969 -3.677258 0.800038
O -1.189386 -2.470055 -1.135529
N -0.962345 -0.011835 0.329242
N -2.957062 1.734024 -1.585113
N 3.908899 -1.594674 -1.307665
C 2.498024 0.484359 -1.274892
C 1.446015 -0.188844 -0.374621
C -2.608981 1.948383 -0.164505
C 3.918391 -0.138134 -1.107077
C 0.079067 0.488780 -0.504913
C -2.285079 0.578545 0.474955
C -3.761108 2.642785 0.590274
C -0.788108 -1.300805 1.023749
C -3.403890 3.033905 2.039711
C 4.470127 0.252581 0.275362
C -0.929253 -2.494768 0.082886
H 2.540415 1.570361 -1.075898
H 2.205741 0.358040 -2.330946
H 1.360803 -1.253112 -0.668706
H 1.767050 -0.171478 0.686572
H -1.716652 2.592894 -0.142095
H 4.567638 0.326044 -1.868498
H -4.016075 3.540589 -0.002521
H -4.648751 1.982647 0.593272
H -1.589985 -1.385051 1.778379
H 0.178630 -1.360404 1.547690
H -2.501778 3.674730 2.073955
H -4.231824 3.598144 2.505721
H -3.219968 2.139420 2.661432
H -3.722487 1.069909 -1.739803
H -2.135920 1.580309 -2.180289
H 4.778961 -1.968638 -1.696780
H 3.612695 -2.116704 -0.475339
H 5.432670 1.728377 1.166108
H -0.843128 -4.459889 0.196679


