%chk=000201081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201081

0 1
O -0.376602 5.003614 0.015979
O -1.704811 0.420832 0.219997
N -5.142465 -0.924899 0.817516
C 0.241154 3.767832 0.564919
C 0.595110 1.227487 0.083089
C 0.205919 2.624591 -0.474444
C 1.662434 4.225820 0.973131
C 0.894932 0.245058 -1.097294
C 2.055513 5.237881 -0.142866
C -0.490992 0.653064 1.013285
C 0.690396 5.784816 -0.657063
C -5.093274 -2.418186 0.820752
C -6.484735 -0.631150 0.240107
C -5.853122 -2.904223 -0.469321
C -6.704829 -1.668696 -0.911287
C -4.008827 -0.295476 0.086568
C 1.404442 -1.120000 -0.660265
C -2.802747 -0.131093 1.021036
C 2.786545 -1.322538 -0.258963
C 0.518978 -2.211408 -0.623115
C 3.215668 -2.642392 0.180201
C 0.939978 -3.509212 -0.194308
C 3.769504 -0.262639 -0.282710
C 2.268623 -3.723025 0.204632
C 4.586598 -2.846320 0.578166
C 5.104225 -0.487910 0.108661
C 5.519593 -1.788887 0.546962
H -0.381384 3.508312 1.439752
H 1.515537 1.320229 0.697919
H 0.885451 2.880439 -1.313418
H -0.816290 2.568767 -0.891446
H 2.376372 3.387153 1.052705
H 1.618952 4.734159 1.952555
H 1.622684 0.733575 -1.773770
H -0.041988 0.120941 -1.668046
H 2.700719 6.041038 0.251174
H 2.608083 4.733352 -0.954995
H -0.147398 -0.304406 1.461186
H -0.716162 1.358688 1.843370
H 0.521446 6.843295 -0.391507
H 0.593715 5.673584 -1.755210
H -5.611153 -2.788216 1.725745
H -4.048882 -2.772288 0.863217
H -6.547536 0.419126 -0.090612
H -7.245274 -0.784103 1.030775
H -5.145889 -3.202191 -1.263209
H -6.486052 -3.781227 -0.246013
H -7.772180 -1.918167 -1.044786
H -6.333984 -1.262607 -1.869755
H -3.687164 -0.867510 -0.815864
H -4.320033 0.706758 -0.258317
H -2.501488 -1.109105 1.459421
H -3.065044 0.552601 1.855968
H -0.522729 -2.052786 -0.927087
H 0.218367 -4.333968 -0.181813
H 3.473916 0.735029 -0.623198
H 2.602255 -4.713966 0.535609
H 4.893660 -3.847273 0.905557
H 5.832770 0.330362 0.077035
H 6.559294 -1.955040 0.850697


%chk=000201081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201081

0 1
O -0.386689 4.902692 -0.259145
O -1.668493 0.372330 0.152563
N -5.127424 -0.897944 0.787557
C 0.306481 3.737212 0.380097
C 0.629300 1.183274 0.000164
C 0.239506 2.558289 -0.608476
C 1.746485 4.230000 0.711291
C 0.937911 0.161152 -1.143352
C 1.945319 5.452727 -0.223738
C -0.461063 0.640566 0.944524
C 0.530915 6.062006 -0.243119
C -5.102250 -2.390927 0.849015
C -6.464385 -0.599995 0.200962
C -5.917727 -2.920336 -0.391748
C -6.693402 -1.668459 -0.916364
C -3.982591 -0.312971 0.038084
C 1.432187 -1.192264 -0.655618
C -2.778420 -0.126916 0.971192
C 2.802303 -1.390871 -0.229857
C 0.542101 -2.274614 -0.592767
C 3.214555 -2.695289 0.258082
C 0.949013 -3.558418 -0.115367
C 3.788070 -0.346009 -0.274664
C 2.262487 -3.766258 0.305925
C 4.571632 -2.893465 0.680033
C 5.103381 -0.568758 0.140522
C 5.501243 -1.853825 0.626709
H -0.254827 3.496165 1.304428
H 1.546515 1.300065 0.616609
H 0.903366 2.788653 -1.466451
H -0.789929 2.495497 -1.005945
H 2.501007 3.441177 0.545324
H 1.814830 4.548244 1.767910
H 1.677300 0.622761 -1.826065
H 0.007644 0.024407 -1.722127
H 2.711181 6.155673 0.146845
H 2.232201 5.123488 -1.238934
H -0.117441 -0.296927 1.432667
H -0.694983 1.379215 1.742952
H 0.353677 6.678050 0.664742
H 0.308838 6.664147 -1.140232
H -5.588334 -2.718182 1.787331
H -4.061521 -2.758268 0.864556
H -6.511032 0.440939 -0.160517
H -7.228839 -0.719123 0.994001
H -5.252391 -3.333293 -1.169985
H -6.608356 -3.726777 -0.087326
H -7.764961 -1.874246 -1.085769
H -6.263953 -1.316311 -1.871951
H -3.663054 -0.924568 -0.838905
H -4.278812 0.678574 -0.348572
H -2.495717 -1.089603 1.453737
H -3.033457 0.596921 1.773975
H -0.494765 -2.119430 -0.913795
H 0.222340 -4.378017 -0.084141
H 3.506479 0.642291 -0.652757
H 2.584383 -4.747666 0.674548
H 4.868187 -3.884317 1.045388
H 5.838801 0.242218 0.092172
H 6.534977 -2.017195 0.950785


