%chk=000229288.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229288

0 1
O -4.906771 1.848667 -0.823974
O -2.714737 -1.121782 1.881406
N 1.211089 -1.554051 -0.333432
N -2.687591 0.700478 0.530213
C -1.225181 -1.269424 -0.020946
C 0.171194 -0.913288 0.535725
C -1.431412 -2.793371 -0.028461
C -0.307378 -3.460570 -0.826954
C 1.077749 -3.049880 -0.299459
C -2.283952 -0.607693 0.858759
C -3.804905 1.312747 1.297705
C -2.520890 1.293623 -0.817053
C 2.590266 -1.138165 0.086938
C -5.115405 1.247145 0.484445
C -3.850277 1.275189 -1.612165
C 2.873505 0.278384 -0.450394
C -6.220962 2.094441 1.093223
C -4.222219 -0.116297 -2.110394
C 4.296591 0.671177 -0.167094
C 4.628793 1.301751 1.042034
C 5.304220 0.402741 -1.106489
C 5.953123 1.662096 1.304339
C 6.626891 0.765330 -0.839302
C 6.954679 1.395570 0.365383
H -1.289848 -0.895734 -1.076738
H 0.319303 0.188267 0.504034
H 0.240930 -1.221765 1.602501
H -2.416991 -3.046899 -0.459879
H -1.453962 -3.173246 1.014502
H -0.408865 -4.560829 -0.782371
H -0.389601 -3.182487 -1.896836
H 1.235726 -3.472301 0.716270
H 1.864789 -3.476277 -0.958751
H -3.533363 2.366488 1.524976
H -3.922725 0.783461 2.273159
H -1.719599 0.767093 -1.383777
H -2.183666 2.348176 -0.686473
H 2.743707 -1.167183 1.186788
H 3.329034 -1.844362 -0.353234
H -5.435745 0.194026 0.327984
H -3.807521 2.004242 -2.457176
H 2.167900 1.007942 -0.004543
H 2.660798 0.306446 -1.540296
H -6.487894 1.750921 2.097999
H -7.124133 2.058460 0.468348
H -5.931131 3.151765 1.154236
H -3.580545 -0.436092 -2.937652
H -5.259724 -0.124884 -2.472890
H -4.154405 -0.877260 -1.324429
H 3.854876 1.511413 1.777216
H 5.055305 -0.088191 -2.045177
H 6.205225 2.152349 2.243216
H 7.404403 0.556466 -1.572234
H 7.984603 1.677777 0.571072


%chk=000229288-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229288

0 1
O -4.626515 2.219014 -0.763408
O -2.892882 -1.479768 1.876077
N 1.181337 -1.716567 -0.279674
N -2.822565 0.380721 0.491181
C -1.301319 -1.570917 0.012741
C 0.091881 -1.082509 0.501550
C -1.383136 -3.111194 0.124043
C -0.201591 -3.761925 -0.626678
C 1.145524 -3.196949 -0.135217
C -2.401240 -0.900295 0.853241
C -3.858662 1.064073 1.298858
C -2.375639 1.184227 -0.662716
C 2.515380 -1.151731 0.044015
C -5.071228 1.430293 0.416908
C -3.584659 1.538842 -1.569814
C 2.747571 0.252612 -0.578270
C -6.087294 2.307844 1.147038
C -4.138941 0.325656 -2.340217
C 4.152651 0.761258 -0.292478
C 4.440697 1.474075 0.900459
C 5.218863 0.489305 -1.188779
C 5.755300 1.903716 1.191271
C 6.535463 0.916241 -0.903291
C 6.808853 1.624933 0.289742
H -1.393433 -1.297834 -1.055571
H 0.166819 0.014623 0.392752
H 0.181195 -1.315708 1.594779
H -2.347842 -3.469755 -0.280532
H -1.368577 -3.389034 1.194260
H -0.214427 -4.858781 -0.479302
H -0.290899 -3.569221 -1.713722
H 1.303745 -3.503813 0.932381
H 1.975959 -3.621244 -0.729412
H -3.431065 1.991684 1.732519
H -4.150456 0.382168 2.114647
H -1.609847 0.650438 -1.245220
H -1.929273 2.128577 -0.289421
H 2.689704 -1.097073 1.148826
H 3.281210 -1.838559 -0.363388
H -5.553321 0.493170 0.066111
H -3.271924 2.322379 -2.284251
H 2.002971 0.965260 -0.175417
H 2.569636 0.170571 -1.666194
H -6.494018 1.782203 2.029661
H -6.923188 2.562622 0.473786
H -5.615550 3.249530 1.480079
H -3.414726 -0.003817 -3.108633
H -5.077494 0.603629 -2.849650
H -4.341107 -0.530828 -1.672606
H 3.627290 1.698748 1.602355
H 5.012837 -0.055214 -2.119170
H 5.957717 2.456396 2.115966
H 7.345011 0.701251 -1.610329
H 7.828504 1.959274 0.512010


