%chk=000211590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211590

0 1
O 0.171890 2.679421 0.816952
O -0.171807 -2.679590 0.816251
N 5.646214 -0.175101 -0.343473
N -5.646174 0.175252 -0.343164
N 2.456177 1.325817 0.976389
N -2.456087 -1.326028 0.976149
C 4.265608 0.388026 -0.459396
C -4.265579 -0.387846 -0.459303
C 3.809545 0.729927 0.978892
C -3.809455 -0.730139 0.978872
C 5.610966 -1.672815 -0.230398
C 6.534097 0.272987 -1.466362
C -5.610919 1.672935 -0.229733
C -6.534121 -0.272567 -1.466106
C 1.306887 0.601222 0.908636
C -1.306800 -0.601416 0.908537
C 6.910569 -2.176006 0.398656
C 6.896451 1.748673 -1.295099
C -6.910481 2.175976 0.399524
C -6.896473 -1.748290 -1.295167
C 0.022150 1.469322 0.867767
C -0.022065 -1.469505 0.867382
C 1.222946 -0.768397 0.887259
C -1.222860 0.768209 0.887518
H 4.266332 1.310865 -1.078742
H 3.539406 -0.301117 -0.941552
H -4.266330 -1.310515 -1.078903
H -3.539397 0.301429 -0.941302
H 4.521334 1.451182 1.442263
H 3.831158 -0.180950 1.621253
H -3.831040 0.180564 1.621481
H -4.521225 -1.451518 1.442077
H 4.757069 -1.958156 0.424468
H 5.438143 -2.173657 -1.207635
H 7.466286 -0.336441 -1.428494
H 6.083244 0.100495 -2.467337
H -4.756979 1.958118 0.425147
H -5.438159 2.174010 -1.206862
H -7.466304 0.336858 -1.428044
H -6.083321 -0.099845 -2.467065
H 2.392158 2.349526 0.932528
H -2.392070 -2.349726 0.932018
H 7.770608 -2.038874 -0.266549
H 7.134889 -1.630842 1.325794
H 6.841084 -3.241190 0.643036
H 6.033829 2.407091 -1.444591
H 7.277886 1.942537 -0.283170
H 7.672214 2.046951 -2.008050
H -7.770561 2.039010 -0.265662
H -7.134745 1.630585 1.326542
H -6.840977 3.241099 0.644162
H -6.033863 -2.406679 -1.444858
H -7.277855 -1.942388 -0.283263
H -7.672276 -2.046399 -2.008147
H 2.111147 -1.397555 0.891803
H -2.111060 1.397366 0.892270


%chk=000211590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211590

0 1
O 0.220291 2.741489 0.940334
O -0.220179 -2.741674 0.939612
N 5.662950 -0.150197 -0.418638
N -5.662928 0.150342 -0.418312
N 2.446433 1.327040 0.977088
N -2.446320 -1.327233 0.976852
C 4.310858 0.446762 -0.469295
C -4.310838 -0.446605 -0.469200
C 3.814641 0.805267 0.961929
C -3.814527 -0.805451 0.961906
C 5.636009 -1.622948 -0.199586
C 6.548192 0.269335 -1.537951
C -5.635963 1.623038 -0.198894
C -6.548228 -0.268899 -1.537690
C 1.306939 0.584487 0.950037
C -1.306828 -0.584675 0.949942
C 6.908634 -2.157994 0.483603
C 7.052277 1.717577 -1.391005
C -6.908566 2.157936 0.484452
C -7.052318 -1.717173 -1.391089
C 0.049111 1.464881 0.945032
C -0.049000 -1.465068 0.944642
C 1.226418 -0.810090 0.941716
C -1.226307 0.809905 0.941990
H 4.339896 1.374022 -1.068871
H 3.566838 -0.225927 -0.957314
H -4.339917 -1.373722 -1.068993
H -3.566852 0.226200 -0.957109
H 4.493357 1.562603 1.389097
H 3.873535 -0.088527 1.611181
H -3.873371 0.088189 1.611377
H -4.493221 -1.562884 1.388938
H 4.768757 -1.851505 0.448903
H 5.459941 -2.171663 -1.158953
H 7.421847 -0.406927 -1.544177
H 6.043017 0.141809 -2.528428
H -4.768694 1.851422 0.449633
H -5.459908 2.171990 -1.158128
H -7.421878 0.407370 -1.543698
H -6.043100 -0.141122 -2.528158
H 2.262231 2.343592 0.970308
H -2.262122 -2.343784 0.969797
H 7.810530 -1.993956 -0.133438
H 7.062620 -1.650669 1.451901
H 6.820574 -3.245815 0.661950
H 6.221419 2.446935 -1.394567
H 7.603147 1.832946 -0.441417
H 7.726905 1.978716 -2.227614
H -7.810477 1.994068 -0.132613
H -7.062544 1.650375 1.452628
H -6.820483 3.245710 0.663067
H -6.221471 -2.446542 -1.394887
H -7.603137 -1.832782 -0.441500
H -7.726996 -1.978088 -2.227727
H 2.113988 -1.449286 0.933023
H -2.113876 1.449103 0.933513


