%chk=000195136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195136

0 1
O -0.568900 -3.190828 -0.944775
N -0.702716 -1.360402 0.461900
N 1.909923 -4.034707 -0.071050
N 4.972280 1.556598 0.301965
N 5.914305 3.605728 -0.366269
N 3.527309 3.419902 -0.383110
C 1.302921 -2.836175 0.554979
C 2.244751 -1.657398 0.468847
C -1.984156 -0.835460 0.094239
C -3.674205 0.893689 0.377227
C -0.076007 -2.495413 -0.077532
C -4.502181 0.240650 -0.573665
C -2.402379 0.336498 0.703093
C -2.815361 -1.498254 -0.864978
C -4.037584 -0.967944 -1.183173
C 3.009130 -1.296575 1.590117
C 2.387930 -0.940194 -0.727691
C -4.138435 2.103145 0.989443
C -5.775931 0.804572 -0.897004
C 3.879687 -0.211998 1.532573
C 3.254962 0.148623 -0.800605
C 4.004841 0.522707 0.334069
C -5.365603 2.620759 0.659483
C -6.196299 1.964730 -0.295914
C 4.773509 2.774379 -0.145074
H 1.110570 -3.109027 1.633502
H -1.785529 0.852253 1.434190
H -0.184183 -0.809117 1.153638
H -2.461986 -2.424143 -1.334039
H -4.679364 -1.465012 -1.912158
H 2.931397 -1.875873 2.511351
H 1.818073 -1.231059 -1.611821
H -3.500072 2.597860 1.718680
H -6.402563 0.294479 -1.627552
H 2.371705 -3.797748 -0.946117
H 1.191502 -4.726853 -0.291777
H 4.481255 0.066502 2.397867
H 3.380624 0.679344 -1.740916
H -5.726227 3.539183 1.120922
H -7.164098 2.400733 -0.535417
H 6.796258 3.166565 -0.096084
H 5.846900 4.542062 0.020718
H 3.521014 4.203367 -1.024851
H 2.726134 2.812555 -0.514833


%chk=000195136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195136

0 1
O -0.741016 -3.560022 -0.943526
N -0.608179 -1.466396 0.122710
N 1.931121 -3.934846 -0.738703
N 4.545115 1.853160 0.811532
N 5.580171 3.833341 0.135771
N 3.662290 3.145089 -1.039619
C 1.360918 -2.975788 0.208369
C 2.215011 -1.713724 0.354199
C -1.913104 -0.928823 -0.052867
C -3.460141 0.950180 0.349673
C -0.099709 -2.689175 -0.280368
C -4.508681 0.234048 -0.349831
C -2.173605 0.343243 0.481770
C -2.950100 -1.642369 -0.749147
C -4.209726 -1.061812 -0.884737
C 2.343589 -1.056676 1.606007
C 2.892554 -1.166124 -0.764413
C -3.750530 2.248334 0.890211
C -5.800418 0.840747 -0.482209
C 3.096310 0.129211 1.733468
C 3.643614 0.018657 -0.647925
C 3.749352 0.705738 0.605701
C -5.019374 2.813744 0.745902
C -6.054608 2.105668 0.053940
C 4.575967 2.878961 -0.016691
H 1.217506 -3.397833 1.238276
H -1.383189 0.887429 1.016128
H 0.071749 -0.856513 0.591927
H -2.725360 -2.627609 -1.161254
H -4.998346 -1.607681 -1.416418
H 1.870353 -1.490179 2.498004
H 2.835288 -1.710308 -1.713515
H -2.959971 2.791911 1.421839
H -6.589937 0.294519 -1.012379
H 2.766705 -4.420148 -0.408501
H 1.221011 -4.536987 -1.169172
H 3.214034 0.622212 2.703721
H 4.194896 0.400582 -1.515790
H -5.230104 3.804731 1.163257
H -7.045148 2.561628 -0.051127
H 6.259317 3.643611 0.869809
H 5.442317 4.795433 -0.165809
H 3.868382 3.812496 -1.778517
H 2.876872 2.511044 -1.167298


