%chk=000148325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148325

0 1
 O   -1.035100       1.736700      -1.125400    
 O   -3.765500     -0.5231000       1.056900    
 O   -1.230100      6.1500002E-02   1.970200    
 O  -9.8499998E-02 -0.9829000     -0.9298000    
 O    4.439900      -2.116200     -0.5624000    
 O   -2.911400      -2.253300     -0.2469000    
 N   0.6460000       1.550100      0.4764000    
 N    3.745400     -7.2800003E-02  0.3071000    
 N    2.169600      -1.572500     -0.7576000    
 N    2.726900       2.011000       1.130100    
 C  -0.7955000       1.733000      0.2730000    
 C    1.409200      0.4816000      0.1029000    
 C    2.677300      0.7890000      0.5148000    
 C   -2.408400       1.971400      -1.452600    
 C   -1.612400      0.6487000      0.9607000    
 C    1.483800       2.444500       1.091000    
 C    1.046200     -0.7245000     -0.5680000    
 C   -2.954500      0.3636000      0.3902000    
 C   -3.314300       1.016600     -0.7235000    
 C    3.527300      -1.309400     -0.3502000    
 C   -2.537600       1.806600      -2.962300    
 C    5.078700      0.2994000      0.7641000    
 C    1.924300      -2.841300      -1.435100    
 C   -3.645400      -1.825100      0.6346000    
 C   -4.566100      -2.692500       1.442000    
 H   -1.064100       2.706100      0.7028000    
 H   -2.669100       3.002400      -1.184600    
 H    1.135700       3.388400       1.487900    
 H   -4.314000      0.8636000      -1.122500    
 H   -3.560100       1.999100      -3.302900    
 H   -1.863900       2.498600      -3.479700    
 H   -2.249500      0.7963000      -3.275700    
 H    5.813600     -0.4753000      0.5315000    
 H    5.054400      0.4489000       1.848000    
 H    5.377400       1.229000      0.2698000    
 H   0.8758000      -2.981000      -1.707700    
 H    2.237100      -3.656300     -0.7746000    
 H    2.540600      -2.878700      -2.339000    
 H   -5.598600      -2.358200       1.312700    
 H   -4.278300      -2.657300       2.495700    
 H   -4.489800      -3.726200       1.092800    


%chk=000148325-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148325

0 1
O -0.989779 1.891296 -1.099836
O -3.353414 -1.020556 0.868498
O -1.162053 0.063794 2.078722
O -0.030542 -1.208194 -0.652742
O 4.609218 -2.034603 -0.486227
O -5.280824 -1.186009 -0.475229
N 0.669391 1.600750 0.526927
N 3.861915 0.051987 0.287289
N 2.308531 -1.591948 -0.567955
N 2.822885 2.175624 1.030026
C -0.765280 1.725650 0.332546
C 1.470222 0.500086 0.179097
C 2.778637 0.887979 0.497906
C -2.421337 1.903944 -1.484038
C -1.523129 0.511620 0.962917
C 1.529404 2.571214 1.026933
C 1.134867 -0.787511 -0.369837
C -2.748211 0.089594 0.235895
C -3.201187 0.767139 -0.860778
C 3.656594 -1.234823 -0.267138
C -2.434939 1.842557 -3.018367
C 5.228264 0.490302 0.635013
C 2.127639 -2.949401 -1.132610
C -4.569400 -1.618029 0.453793
C -4.831069 -2.828794 1.314941
H -1.095366 2.634855 0.887967
H -2.862659 2.874101 -1.149855
H 1.177211 3.538767 1.376835
H -4.148476 0.492388 -1.331821
H -3.467660 1.930934 -3.399036
H -1.833327 2.670469 -3.428857
H -2.004323 0.887916 -3.362915
H 5.916618 -0.322239 0.361579
H 5.294990 0.698972 1.715769
H 5.481739 1.409537 0.081449
H 1.051013 -3.092511 -1.304028
H 2.511131 -3.704932 -0.427825
H 2.687299 -3.042413 -2.077491
H -4.807991 -2.549521 2.381909
H -4.033296 -3.576100 1.159714
H -5.806307 -3.264390 1.055560


