%chk=000179559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179559

0 1
O -0.135829 -1.837124 1.665057
N 1.822119 0.100238 -0.001914
N 2.948920 1.671332 1.185926
C 1.093624 -1.160234 -0.301111
C 1.996292 -2.354151 0.028070
C 0.635222 -1.218758 -1.757841
C -0.160734 -1.183539 0.651521
C -1.356806 -0.396504 0.227148
C 2.164019 1.130697 -0.896361
C 2.331250 0.475651 1.264776
C 2.853230 2.083366 -0.145946
C -2.558721 -1.077529 -0.015586
C -1.298015 0.997720 0.107628
C -3.695488 -0.362250 -0.400160
C -2.441846 1.708095 -0.269090
C -3.637341 1.029991 -0.527461
H 2.178062 -2.442563 1.110368
H 2.972761 -2.273673 -0.465242
H 1.540969 -3.301034 -0.286307
H 0.033427 -2.118293 -1.944824
H 0.014785 -0.356723 -2.040598
H 1.487770 -1.257420 -2.448981
H 1.917101 1.121622 -1.938440
H 2.217936 -0.130113 2.152159
H 3.277667 3.017243 -0.470152
H -2.607007 -2.159998 0.105057
H -0.370646 1.534630 0.317793
H -4.629418 -0.888826 -0.592283
H -2.399961 2.793463 -0.356523
H -4.526341 1.586883 -0.822483


%chk=000179559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179559

0 1
O -0.457170 -2.610083 0.702144
N 1.681697 0.113112 -0.002662
N 2.261782 1.780173 1.431443
C 1.168100 -1.213938 -0.456253
C 2.156691 -2.310352 0.009764
C 1.029005 -1.259263 -2.001517
C -0.255827 -1.487228 0.155194
C -1.383364 -0.497615 0.026711
C 2.338602 1.093819 -0.765406
C 1.670477 0.574475 1.314579
C 2.683105 2.107669 0.131893
C -2.664140 -0.935365 0.472786
C -1.258841 0.816028 -0.509103
C -3.787648 -0.093215 0.383584
C -2.387737 1.657600 -0.597983
C -3.653286 1.209427 -0.155006
H 2.222370 -2.341655 1.109623
H 3.158164 -2.093886 -0.401458
H 1.824527 -3.303101 -0.332923
H 0.568021 -2.218761 -2.291919
H 0.398797 -0.443984 -2.392942
H 2.023297 -1.209711 -2.479597
H 2.507531 0.993532 -1.833004
H 1.220122 0.015281 2.131682
H 3.203951 3.040367 -0.072736
H -2.745802 -1.945861 0.886163
H -0.289484 1.201826 -0.833566
H -4.764593 -0.445759 0.731373
H -2.276271 2.668979 -1.003125
H -4.525076 1.869689 -0.223536


