%chk=000050653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050653

0 1
 O   -1.290100      -1.330300      0.6701000    
 O   0.1058000      -1.339100      -2.130500    
 O   0.6365000       1.101700       1.845800    
 O    3.568100      -2.250600      0.7399000    
 N    1.891700      -1.726200     -0.7435000    
 N    2.156300     -0.5074000       1.243100    
 C   0.6056000      0.3434000     -0.4572000    
 C  -0.8801000      0.7300000     -0.4963000    
 C   -3.296600     -6.5600000E-02  0.1681000    
 C   -1.773800     -0.3203000      0.1535000    
 C    1.426500       1.401400      -1.216000    
 C   0.8065000     -0.9830000      -1.183300    
 C    1.095900      0.3491000      0.9872000    
 C   -3.846800      6.3699998E-02  -1.258100    
 C   -4.005600      -1.244800      0.8579000    
 C   -3.575200       1.217000      0.9615000    
 C    1.347600       2.724600     -0.5301000    
 C    2.616200      -1.533700      0.4267000    
 C    2.411300       3.370000     -3.8699999E-02
 H   -1.062700       1.669000      3.2600001E-02
 H   -1.206300      0.8543000      -1.534700    
 H    1.056000       1.511700      -2.243500    
 H    2.473300       1.081500      -1.308600    
 H   -4.940300      0.1344000      -1.257500    
 H   -3.464400      0.9581000      -1.761400    
 H   -3.562600     -0.8012000      -1.868200    
 H   -3.654100      -1.372800       1.888400    
 H   -3.818400      -2.185700      0.3274000    
 H   -5.090200      -1.092000      0.8941000    
 H   -3.214500       2.108800      0.4379000    
 H   -4.650300       1.353900       1.124800    
 H   -3.086800       1.190300       1.942400    
 H    2.133900      -2.545500      -1.293700    
 H    2.593700     -0.4280000       2.156900    
 H   0.3873000       3.229800     -0.4810000    
 H    2.297600       4.345700      0.4212000    
 H    3.406300       2.941100     -8.1900001E-02


%chk=000050653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050653

0 1
O -1.196383 -1.356144 0.638620
O 0.408438 -1.366504 -2.212213
O 0.490051 1.333711 1.770552
O 3.300768 -2.332765 1.298440
N 1.889406 -1.777371 -0.479777
N 1.977208 -0.411388 1.448804
C 0.598564 0.367888 -0.484574
C -0.907480 0.670127 -0.646050
C -3.282347 -0.137541 0.208342
C -1.761521 -0.364867 0.095525
C 1.477400 1.406037 -1.307960
C 0.908081 -1.001267 -1.116395
C 0.977016 0.467927 0.999131
C -3.857815 0.549934 -1.058559
C -3.998117 -1.488914 0.454329
C -3.484152 0.792741 1.450586
C 1.378826 2.843297 -0.847908
C 2.451077 -1.559913 0.790199
C 2.449828 3.614864 -0.539508
H -1.138789 1.677916 -0.260257
H -1.169808 0.648928 -1.720153
H 1.135204 1.314735 -2.358846
H 2.535599 1.083131 -1.281960
H -4.949231 0.676038 -0.939313
H -3.425045 1.552609 -1.225724
H -3.686305 -0.060629 -1.964186
H -3.567016 -2.009262 1.325346
H -3.897633 -2.157189 -0.419906
H -5.074033 -1.314957 0.637798
H -2.955305 1.756769 1.340563
H -4.562580 1.003673 1.570448
H -3.118631 0.303945 2.370478
H 2.165035 -2.650310 -0.940765
H 2.306250 -0.288391 2.411871
H 0.373080 3.283026 -0.798247
H 2.334072 4.662407 -0.241654
H 3.473588 3.221010 -0.571774


