%chk=000228030.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228030

0 1
O 1.771205 1.235997 0.436682
O -0.715832 -1.270674 -1.646343
O 2.017104 -2.055184 -1.056415
O 0.783089 3.173312 -0.137044
O 4.060611 -1.486400 0.974200
O -2.848581 0.587268 -1.248787
N -1.066042 0.970300 0.120036
C -0.152815 1.062541 -1.037642
C 0.352833 -0.330313 -1.504201
C 1.275205 -0.987128 -0.449144
C 2.373529 -0.014319 0.045522
C 1.089408 1.916811 -0.652127
C 3.076960 -0.513856 1.320341
C -2.413482 0.620440 -0.107197
C -3.247243 0.366142 1.125930
C -2.771436 -0.865776 1.908394
C -2.632729 -2.101347 1.025856
H -0.707663 1.563425 -1.881289
H 0.866719 -0.253357 -2.490474
H 0.665812 -1.407936 0.381985
H 3.122440 0.166650 -0.761650
H 1.781855 2.109566 -1.497845
H -0.614747 0.737989 1.006011
H 2.372747 -0.941533 2.054229
H 3.659916 0.300367 1.797682
H -1.514592 -0.843718 -2.064737
H 1.390750 -2.701652 -1.464421
H 0.241822 3.114134 0.688465
H -3.263196 1.261728 1.778990
H -4.302703 0.219951 0.799132
H 3.658993 -2.187687 0.397321
H -3.497441 -1.068794 2.723612
H -1.810241 -0.651493 2.414997
H -3.573985 -2.343648 0.516263
H -1.873522 -1.970732 0.238313
H -2.345147 -2.981173 1.612255


%chk=000228030-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228030

0 1
O 1.699860 1.210392 0.623791
O -0.474531 -1.155934 -2.134905
O 1.969126 -2.127474 -1.042099
O 0.649089 3.239847 -0.009894
O 4.016115 -1.725005 0.784581
O -2.761059 0.260507 -1.402969
N -1.063393 0.882494 0.043415
C -0.089558 1.097406 -1.050532
C 0.513269 -0.216160 -1.608245
C 1.299920 -0.938232 -0.502328
C 2.376821 -0.012795 0.108610
C 1.068356 1.968281 -0.491690
C 3.130038 -0.672056 1.276224
C -2.367020 0.490344 -0.208851
C -3.274699 0.331903 1.006528
C -2.787961 -0.773914 1.988384
C -2.672681 -2.164082 1.326788
H -0.611646 1.635635 -1.863082
H 1.216510 0.050875 -2.427462
H 0.587117 -1.243671 0.294311
H 3.111813 0.266697 -0.676830
H 1.826007 2.173759 -1.270800
H -0.684777 0.828516 0.995669
H 2.399582 -1.061506 2.019454
H 3.773410 0.073458 1.770659
H -1.378850 -0.718162 -2.168436
H 1.302729 -2.625707 -1.584216
H -0.171286 3.138867 0.539541
H -3.355907 1.297858 1.542180
H -4.274694 0.072077 0.621300
H 3.496818 -2.276201 0.132850
H -3.506018 -0.819713 2.828992
H -1.814048 -0.488611 2.437917
H -3.644649 -2.481852 0.907503
H -1.939942 -2.163767 0.498139
H -2.354260 -2.924170 2.062401


