%chk=000050033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050033

0 1
 O    1.563800     -0.2325000      0.1956000    
 O   -2.765500      -2.109400      0.3261000    
 O   0.4971000       1.777400     -3.3100002E-02
 N    5.239700      3.8800001E-02  0.2047000    
 N  -0.6809000     -0.2362000      0.1612000    
 C    3.926100     -0.6008000      0.2702000    
 C    2.818800      0.4334000      0.1441000    
 C    5.388800      0.7724000      -1.051600    
 C    6.300900     -0.9578000      0.3438000    
 C   -2.035000      0.1644000      9.8099999E-02
 C   -3.044100     -0.7826000      0.1829000    
 C   0.4458000      0.5603000      9.4800003E-02
 C   -2.325400       1.512500     -4.8300002E-02
 C   -4.375600     -0.3720000      0.1199000    
 C   -3.657200       1.923000     -0.1115000    
 C   -4.682200      0.9809000     -2.7400000E-02
 C   -2.615200      -2.871700     -0.8694000    
 H    3.806500      -1.122800       1.228400    
 H    3.806600      -1.366000     -0.5089000    
 H    2.857800      0.9605000     -0.8139000    
 H    2.880300       1.161100      0.9623000    
 H    4.796200       1.692400      -1.060700    
 H    5.132900      0.1645000      -1.927200    
 H    6.425900       1.108300      -1.175500    
 H    7.284600     -0.4753000      0.3544000    
 H    6.286300      -1.694500     -0.4678000    
 H    6.205500      -1.491700       1.296000    
 H  -0.5204000      -1.234200      0.2729000    
 H   -1.592700       2.302200     -0.1207000    
 H   -5.179600      -1.100100      0.1853000    
 H   -3.897400       2.976100     -0.2260000    
 H   -5.719000       1.300600     -7.6499999E-02
 H   -1.814600      -2.464100      -1.494700    
 H   -3.555100      -2.890800      -1.430000    
 H   -2.353600      -3.896300     -0.5914000    


%chk=000050033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050033

0 1
O 1.641869 -0.222238 0.215964
O -2.397377 -2.051550 -0.229381
O 0.588062 1.889111 0.170117
N 5.381631 -0.019806 0.152730
N -0.603117 -0.153068 -0.001727
C 4.017310 -0.549371 -0.073512
C 2.954182 0.446612 0.409197
C 5.761642 1.044616 -0.799876
C 6.400218 -1.087368 0.217378
C -1.944240 0.284268 -0.119089
C -2.929464 -0.744201 -0.241944
C 0.524182 0.634028 0.130724
C -2.354903 1.637086 -0.118437
C -4.295645 -0.424887 -0.360424
C -3.728289 1.953881 -0.238105
C -4.695234 0.934169 -0.358313
C -3.334369 -3.168917 -0.344153
H 3.904622 -1.482666 0.507685
H 3.823956 -0.803353 -1.146018
H 2.954711 1.395057 -0.155068
H 3.090610 0.670257 1.481859
H 5.045148 1.882074 -0.752533
H 5.806987 0.686514 -1.860230
H 6.756283 1.441100 -0.529254
H 7.379009 -0.647398 0.480561
H 6.523935 -1.646998 -0.744795
H 6.130963 -1.813756 1.004420
H -0.463833 -1.167749 -0.014356
H -1.597962 2.418490 -0.023612
H -5.047466 -1.214323 -0.453112
H -4.036171 3.004719 -0.236011
H -5.757269 1.184684 -0.450413
H -3.886414 -3.128671 -1.302808
H -4.051185 -3.175009 0.499294
H -2.712282 -4.075337 -0.310657


