%chk=000003313.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003313

0 1
O -0.078647 -0.306221 0.755255
O -1.020336 -1.960204 -0.624067
O -3.118590 -1.963121 1.362044
N 3.680988 -0.182030 0.643105
C 3.897225 0.640845 -0.613530
C 2.302009 -0.091075 1.225441
C 2.842294 0.185783 -1.662414
C 1.283930 -0.535659 0.150870
C 1.393007 0.267231 -1.147506
C 5.291230 0.316168 -1.210866
C 3.799617 2.178493 -0.364508
C 2.149693 -0.981799 2.477051
C 4.732668 0.004060 1.670248
C -1.126544 -1.068839 0.269422
C -2.445568 -0.712342 0.967942
C -3.355145 0.183463 0.120070
C -4.602554 0.568326 0.677166
C -3.010536 0.633675 -1.177410
C -5.487293 1.392514 -0.048935
C -3.896377 1.462341 -1.904793
C -5.134892 1.844640 -1.343657
H 2.046771 0.960380 1.514774
H 3.072005 -0.860262 -1.944715
H 2.950806 0.806183 -2.572040
H 1.390999 -1.618598 -0.048700
H 1.102740 1.316644 -0.949710
H 0.695722 -0.138162 -1.902802
H 5.334672 0.665873 -2.258630
H 6.115823 0.811947 -0.668681
H 5.463697 -0.775002 -1.201088
H 2.802618 2.485406 -0.002705
H 4.546559 2.504374 0.382252
H 4.001074 2.729958 -1.301412
H 1.083712 -1.044902 2.752624
H 2.521497 -2.002216 2.268772
H 2.692488 -0.577997 3.347747
H 4.672974 -0.801048 2.419510
H 4.671797 0.979884 2.212067
H 5.725978 -0.067093 1.202066
H -2.219600 -0.219156 1.927262
H -3.257371 -2.501847 0.538117
H -4.874820 0.204462 1.674266
H -2.059769 0.333003 -1.631461
H -6.448279 1.681905 0.390793
H -3.620774 1.804089 -2.908737
H -5.820699 2.486226 -1.908196


%chk=000003313-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003313

0 1
O -0.220577 -0.683411 0.601685
O -0.799188 -2.452587 -0.809973
O -3.309225 -2.563934 0.195904
N 3.478080 -0.014679 0.790288
C 3.677701 0.816473 -0.464082
C 2.057040 -0.108473 1.257649
C 2.791955 0.198203 -1.584193
C 1.212144 -0.718473 0.116733
C 1.308254 0.068288 -1.191272
C 5.149113 0.694140 -0.938246
C 3.337780 2.325351 -0.257612
C 1.923065 -0.980680 2.523809
C 4.412286 0.319827 1.890779
C -1.101233 -1.566635 0.030469
C -2.547229 -1.373497 0.534439
C -3.162150 -0.093611 -0.062220
C -2.733125 1.183330 0.378970
C -4.174731 -0.188527 -1.044370
C -3.305070 2.352989 -0.168155
C -4.743116 0.983574 -1.593949
C -4.309949 2.257153 -1.159943
H 1.631678 0.902244 1.487369
H 3.197186 -0.804115 -1.824243
H 2.881246 0.818752 -2.495580
H 1.489937 -1.778034 -0.037944
H 0.848011 1.064508 -1.050282
H 0.743276 -0.448423 -1.987286
H 5.230056 1.041064 -1.984657
H 5.845224 1.306527 -0.338055
H 5.475689 -0.360473 -0.896401
H 2.282007 2.487772 0.023181
H 3.970857 2.765411 0.534407
H 3.526969 2.889984 -1.189070
H 0.856032 -1.182530 2.716650
H 2.444953 -1.945361 2.383577
H 2.332123 -0.483883 3.419033
H 4.392783 -0.473695 2.654305
H 4.189798 1.289765 2.400025
H 5.440964 0.365125 1.502596
H -2.520709 -1.287276 1.636484
H -2.783556 -3.065343 -0.489027
H -1.950388 1.260916 1.142163
H -4.524065 -1.180313 -1.346445
H -2.971300 3.336797 0.181050
H -5.529267 0.901059 -2.353080
H -4.754532 3.165004 -1.583177


