%chk=000224693.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224693

0 1
O 0.470965 -2.436762 -1.296872
O -0.331010 -0.753398 -2.514273
N -1.947801 -1.805489 0.526948
C 0.023468 -0.433777 -0.059827
C -0.588702 -1.398788 1.004694
C 1.500991 -0.120036 0.178200
C -0.781824 0.862724 -0.044186
C -0.014403 -1.147740 -1.417962
C 2.139149 0.758042 -0.717904
C -0.490644 1.821542 0.942178
C 2.232458 -0.666986 1.238134
C -1.833181 1.099827 -0.939410
C -3.028804 -1.193250 1.350939
C -2.085365 -3.290238 0.483088
C 3.485510 1.080728 -0.550987
C -1.231324 3.002317 1.018674
C 3.583785 -0.338954 1.403183
C -2.571288 2.285217 -0.860385
C 4.212749 0.532850 0.512602
C -2.273616 3.238834 0.115981
H -0.606827 -0.885222 1.988010
H 0.084641 -2.279414 1.111130
H 1.574199 1.192806 -1.545883
H 0.322165 1.651778 1.647867
H 1.770843 -1.356387 1.942422
H -2.084918 0.360701 -1.705662
H -2.923712 -0.094119 1.322866
H -3.052952 -1.516836 2.401016
H -4.002189 -1.432590 0.892357
H -3.050619 -3.541852 0.014412
H -2.035121 -3.792070 1.459511
H -1.291077 -3.700362 -0.166371
H 3.970995 1.760600 -1.250016
H -0.994339 3.741384 1.781642
H 4.144706 -0.770310 2.230889
H -3.380828 2.461683 -1.566967
H 5.263358 0.785193 0.642281
H -2.847535 4.160999 0.173751
H 0.488197 -2.908948 -2.171469


%chk=000224693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224693

0 1
O 0.378835 -2.468861 -1.409771
O -0.041728 -0.550362 -2.617181
N -1.961306 -1.808822 0.619310
C 0.047232 -0.423033 -0.114350
C -0.569994 -1.418146 0.937574
C 1.549032 -0.120878 0.175721
C -0.785961 0.876400 -0.123493
C 0.075873 -1.099319 -1.500995
C 2.229604 0.793155 -0.673260
C -0.498901 1.884990 0.833038
C 2.269533 -0.726173 1.234396
C -1.910665 1.047889 -0.969500
C -2.985800 -1.146247 1.452549
C -2.174205 -3.268055 0.531209
C 3.592063 1.092243 -0.470313
C -1.310209 3.035356 0.942970
C 3.635562 -0.422180 1.442553
C -2.720301 2.200951 -0.863980
C 4.303478 0.485312 0.591956
C -2.426999 3.200172 0.091615
H -0.505759 -0.931026 1.934477
H 0.059017 -2.324228 0.966094
H 1.681739 1.268580 -1.494966
H 0.369630 1.773960 1.492264
H 1.782303 -1.436781 1.907812
H -2.158062 0.283413 -1.708882
H -2.838338 -0.054816 1.444457
H -2.971883 -1.495466 2.516176
H -3.989608 -1.354477 1.039397
H -3.182928 -3.466987 0.124539
H -2.098538 -3.788429 1.519494
H -1.432096 -3.709658 -0.153803
H 4.098202 1.797812 -1.138647
H -1.067951 3.801624 1.688226
H 4.175383 -0.897941 2.269276
H -3.582732 2.316926 -1.530256
H 5.362291 0.717204 0.752698
H -3.056023 4.094200 0.170203
H 0.480312 -2.824603 -2.334006


