%chk=000003499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003499

0 1
 O  -0.9383000      -3.832600       2.651700    
 O   -1.404500      -2.218700      -3.437500    
 O   -4.099800       1.360200      -2.498200    
 N    2.193600      -1.000200     -0.8450000    
 N   -3.001900     -0.5432000      -3.250600    
 N    6.100800       1.714900      0.4025000    
 N   -1.243500       3.543900      0.3907000    
 C   8.2999999E-03 -0.8351000      -1.216400    
 C    1.586700      -1.769200      0.1223000    
 C   0.2089000      -1.682800     -8.8699996E-02
 C    3.620200     -0.8089000     -0.9943000    
 C    1.249700     -0.4321000      -1.657700    
 C   -1.230000     -0.4458000      -1.816300    
 C    4.126400      0.3924000     -0.1964000    
 C   -2.016500      0.6126000      -1.547800    
 C    5.630900      0.5785000     -0.3809000    
 C   -1.859900       1.635900     -0.5614000    
 C  -0.6547000      -2.386300      0.7742000    
 C    2.146300      -2.527000       1.157200    
 C   -1.856200      -1.207600      -2.927000    
 C   -2.346500       1.643500      0.7759000    
 C   -3.178200      0.5620000      -2.471900    
 C  -0.1092000      -3.148300       1.813800    
 C    1.270100      -3.216200       2.000500    
 C   -1.946100       2.851400       1.350900    
 C   -1.186200       2.817600     -0.7684000    
 C   -3.091300      0.7356000       1.554600    
 C   -2.254500       3.198400       2.671000    
 C    5.451300       2.950000     -4.0100001E-02
 C    7.555800       1.843100      0.3037000    
 C   -3.407200       1.069300       2.876700    
 C   -2.994300       2.282300       3.424300    
 C   -2.330100      -3.737600       2.428500    
 H    4.127200      -1.731200     -0.6910000    
 H    3.822400     -0.6722000      -2.063800    
 H    1.537300      0.2114000      -2.479400    
 H    3.565200       1.267600     -0.5415000    
 H    3.890400      0.2599000      0.8674000    
 H    5.867400      0.7020000      -1.446100    
 H    6.135800     -0.3350000     -4.1800000E-02
 H   -1.718300      -2.302500      0.5859000    
 H    3.218100      -2.583600       1.313900    
 H    1.678600      -3.812100       2.813300    
 H   -3.642700     -0.8343000      -3.980100    
 H  -0.6696000       3.210300      -1.633700    
 H  -0.8299000       4.456600      0.5232000    
 H   -3.421800     -0.2140000       1.143300    
 H   -1.933300       4.142500       3.098200    
 H    5.520800       3.095700      -1.124300    
 H    5.917600       3.818700      0.4411000    
 H    4.401400       2.992700      0.2646000    
 H    7.885200       2.030900     -0.7248000    
 H    8.048000      0.9325000      0.6631000    
 H    7.915000       2.662000      0.9369000    
 H   -3.981100      0.3725000       3.482000    
 H   -3.250500       2.520900       4.453300    
 H   -2.692600      -2.711700       2.555600    
 H   -2.827900      -4.345900       3.190900    
 H   -2.615000      -4.153300       1.455900    


%chk=000003499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003499

0 1
O -0.412141 -2.080396 3.631278
O -0.270979 -0.630883 -4.138221
O -4.400224 0.745782 -2.413844
N 2.542093 -0.794547 -0.937466
N -2.473538 0.031471 -3.581557
N 7.114740 1.221369 -0.337544
N -2.145064 2.043478 2.011479
C 0.287101 -0.402616 -1.153867
C 1.958070 -1.111340 0.308320
C 0.544244 -0.890880 0.201237
C 3.979035 -0.855365 -1.246894
C 1.542618 -0.384045 -1.804156
C -0.967099 -0.063272 -1.797693
C 4.774919 0.341937 -0.675325
C -2.185316 0.405088 -1.289148
C 6.264389 0.254327 -1.068921
C -2.487082 0.951137 0.028673
C -0.295560 -1.223595 1.296979
C 2.554123 -1.614017 1.485676
C -1.127778 -0.264088 -3.290096
C -3.733076 0.920751 0.801104
C -3.182742 0.428273 -2.418218
C 0.303303 -1.725708 2.473274
C 1.715229 -1.911792 2.572571
C -3.478464 1.604375 2.042564
C -1.553759 1.646956 0.818591
C -5.024077 0.366834 0.590591
C -4.449209 1.747683 3.057343
C 6.796843 2.631017 -0.645656
C 8.552841 0.933423 -0.522397
C -5.997358 0.498527 1.600397
C -5.717757 1.181257 2.820471
C -1.872835 -1.962799 3.581557
H 4.385450 -1.804949 -0.847962
H 4.085236 -0.891908 -2.346534
H 1.757191 -0.115958 -2.835944
H 4.320176 1.277166 -1.051324
H 4.702196 0.357903 0.427818
H 6.359861 0.373994 -2.182767
H 6.638453 -0.760450 -0.824896
H -1.376747 -1.104590 1.216033
H 3.633562 -1.780175 1.562326
H 2.119194 -2.304217 3.510347
H -2.891425 -0.034566 -4.509206
H -0.517175 1.883631 0.591673
H -1.678846 2.564653 2.751094
H -5.263852 -0.123565 -0.355431
H -4.231125 2.277774 3.991301
H 6.933075 2.886803 -1.728443
H 7.455640 3.290893 -0.053960
H 5.755278 2.861890 -0.365976
H 8.898052 1.049659 -1.581663
H 8.769669 -0.101823 -0.203468
H 9.151198 1.616292 0.106632
H -6.996673 0.078688 1.441401
H -6.500913 1.271337 3.581415
H -2.191735 -0.917406 3.403277
H -2.221907 -2.295372 4.570114
H -2.301525 -2.613646 2.795042


