%chk=000189449.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189449

0 1
O -5.537673 -2.231985 0.536602
O -5.490866 0.773751 -0.152962
N 0.564038 2.358521 -0.162585
C -4.673897 -1.499474 -0.360579
C -4.517329 -0.143912 0.380532
C -2.041525 -0.306315 0.197677
C -3.363186 -2.260681 -0.598303
C -2.225032 -1.793339 0.319995
C -3.164914 0.492020 0.189299
C -0.736867 0.290988 0.083065
C -0.645788 1.715038 -0.052616
C -3.064315 1.913403 0.039769
C 0.469129 -0.447087 0.097473
C -1.844447 2.513158 -0.078567
C 1.698566 0.190749 -0.012555
C 1.696560 1.630205 -0.143330
C 2.978139 -0.515981 -0.002456
C 4.180032 0.222609 -0.121006
C 2.964887 2.344701 -0.261881
C 4.135079 1.672313 -0.250768
C 3.050567 -1.923230 0.123308
C 5.421826 -0.453749 -0.112350
C 4.276441 -2.571503 0.130212
C 5.470020 -1.833790 0.011624
H -5.227115 -1.348520 -1.315976
H -4.726872 -0.292633 1.470871
H -3.052544 -2.129834 -1.655596
H -3.529176 -3.346243 -0.459475
H -2.459687 -2.049057 1.376880
H -1.295911 -2.345843 0.075563
H -3.994641 2.490234 0.014733
H 0.421031 -1.535616 0.196241
H -1.736253 3.592884 -0.194948
H -5.698057 -3.136492 0.212556
H -6.390699 0.490967 0.119172
H 2.910197 3.431663 -0.358066
H 5.087914 2.196891 -0.338907
H 2.131689 -2.501605 0.216108
H 6.343395 0.120301 -0.204059
H 4.323297 -3.655248 0.227649
H 6.426785 -2.353463 0.018257


%chk=000189449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189449

0 1
O -5.897680 -2.071658 -0.042182
O -5.610194 0.741101 0.250893
N 0.554938 2.363959 -0.216462
C -4.647639 -1.407975 -0.492353
C -4.517341 -0.203005 0.466950
C -2.039972 -0.331612 0.299200
C -3.406520 -2.341544 -0.447408
C -2.282677 -1.819869 0.500437
C -3.181582 0.484588 0.276767
C -0.737290 0.268208 0.136585
C -0.645632 1.713373 -0.052913
C -3.088152 1.900785 0.089115
C 0.485547 -0.460058 0.153850
C -1.843897 2.502947 -0.072735
C 1.728141 0.184708 -0.011344
C 1.704474 1.630859 -0.198091
C 3.020641 -0.515591 -0.003720
C 4.229270 0.247445 -0.186020
C 2.950182 2.349876 -0.376259
C 4.157182 1.685686 -0.370917
C 3.137095 -1.925973 0.176724
C 5.492203 -0.416238 -0.183009
C 4.388757 -2.562064 0.177340
C 5.578381 -1.803959 -0.004190
H -4.799052 -1.003455 -1.514013
H -4.583171 -0.622146 1.498940
H -2.990037 -2.450899 -1.465135
H -3.728813 -3.342879 -0.105271
H -2.593087 -2.000129 1.550730
H -1.371717 -2.419849 0.338990
H -4.014155 2.481124 0.076299
H 0.454141 -1.543201 0.300635
H -1.733105 3.581645 -0.216312
H -6.203793 -2.707041 -0.736215
H -6.449411 0.214740 0.309565
H 2.877768 3.432802 -0.512880
H 5.095286 2.236908 -0.506650
H 2.239797 -2.536787 0.319816
H 6.401465 0.180296 -0.323287
H 4.449424 -3.646733 0.318436
H 6.553023 -2.303592 -0.003305


