%chk=000189811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189811

0 1
O -0.621247 1.590447 -1.407174
O -0.367345 2.542775 0.607168
O -0.231040 -4.385115 -1.139258
O -0.206856 -3.113514 -2.981188
O 2.048588 1.151912 -1.179389
O 3.950685 2.196402 1.558793
O 4.753121 1.354137 -0.359312
N -2.471275 0.099298 0.652699
N 0.425668 -1.271051 -0.652977
C -2.505837 1.467531 -0.001215
C -3.257834 2.043281 1.224119
C -3.341473 0.605375 1.788061
C -3.027176 -1.017889 -0.154257
C -2.054299 -1.393613 -1.280226
C -0.791115 -2.112718 -0.765629
C -1.077909 1.944556 -0.166775
C 0.757369 -0.862387 0.745392
C -0.378026 -3.178928 -1.790136
C 2.206807 -0.351446 0.770673
C 2.355521 1.063930 0.210849
C 3.810766 1.522313 0.373032
H -3.052301 1.544333 -0.965084
H -4.215551 2.521453 0.995671
H -2.664951 2.742053 1.834806
H -4.356120 0.188905 1.850893
H -2.831353 0.445626 2.753179
H -3.174326 -1.880879 0.536071
H -4.025884 -0.792506 -0.591048
H -1.760310 -0.485341 -1.855886
H -2.588483 -2.029663 -2.016060
H -1.010887 -2.628389 0.209737
H 0.344572 -0.434916 -1.254525
H 0.058176 -0.096197 1.152785
H 0.676309 -1.749712 1.413013
H 2.853790 -1.060246 0.206756
H 2.576362 -0.372255 1.818150
H 0.359612 1.826187 -1.555733
H 1.643768 1.803916 0.676445
H 0.078061 -5.114098 -1.737974
H 2.528354 0.459429 -1.700725
H 4.876869 2.528903 1.710981


%chk=000189811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189811

0 1
O -0.641610 1.935691 -1.072142
O -0.416711 1.808079 1.234214
O -0.137113 -4.009828 0.281721
O -1.310308 -4.016603 -1.714726
O 1.886568 1.443757 -1.171440
O 4.514812 1.603905 1.365080
O 4.307425 2.464251 -0.786218
N -2.964898 0.033454 0.409511
N 0.542942 -1.351008 -0.763844
C -2.637420 1.500027 0.195738
C -3.456348 1.824985 1.482521
C -4.096317 0.404915 1.334027
C -3.198616 -0.848658 -0.748923
C -1.878234 -1.171834 -1.486679
C -0.841832 -1.843331 -0.551307
C -1.139532 1.780127 0.201976
C 1.378476 -1.256107 0.450085
C -0.825042 -3.366089 -0.762807
C 2.696606 -0.492349 0.209359
C 2.520746 1.043708 0.106084
C 3.854177 1.780713 0.166012
H -3.087240 1.914991 -0.732092
H -4.133493 2.689055 1.425776
H -2.797903 1.905227 2.361056
H -5.084965 0.442599 0.822568
H -4.173512 -0.224102 2.237263
H -3.656573 -1.780836 -0.362265
H -3.923715 -0.404054 -1.475624
H -1.461779 -0.228425 -1.883726
H -2.094820 -1.828208 -2.348506
H -1.152850 -1.646938 0.499897
H 0.586531 -0.521096 -1.363832
H 0.826980 -0.766606 1.290520
H 1.623837 -2.280077 0.788341
H 3.193446 -0.869868 -0.704702
H 3.367871 -0.686241 1.066508
H 0.394514 1.889990 -1.100764
H 1.850454 1.402395 0.912618
H -0.090199 -4.984486 0.080229
H 2.569588 1.922369 -1.721181
H 5.378858 2.098405 1.364376


