%chk=000050975.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050975

0 1
 O    4.184500     -0.7732000     -0.1559000    
 O   -3.474500     -0.5343000     -0.2827000    
 O   -2.228000       3.033000     -0.3404000    
 O    5.856900      0.6929000      0.4690000    
 O   -5.174800      -1.112900       1.169500    
 N   -1.701100       1.064600      0.2283000    
 N   -1.858900       1.928200     -0.7565000    
 C   0.7161000      0.6607000      0.1826000    
 C    1.810100     -0.3619000     -0.1203000    
 C  -0.6726000      7.1199998E-02 -5.7999998E-02
 C    3.197900      0.2013000      0.1563000    
 C   -2.948900      0.4073000      0.6764000    
 C    5.482300     -0.3934000      4.8400000E-02
 C   -4.587900      -1.220400      0.1014000    
 C    6.406100      -1.514300     -0.3205000    
 C   -5.007200      -2.148900     -0.9975000    
 H   0.8748000       1.544000     -0.4485000    
 H   0.8024000      0.9904000       1.225900    
 H    1.750300     -0.6833000      -1.167600    
 H    1.663000      -1.268000      0.4807000    
 H  -0.7739000     -0.7885000      0.6189000    
 H  -0.7586000     -0.3302000      -1.077700    
 H    3.365400       1.094300     -0.4577000    
 H    3.283000      0.4769000       1.214200    
 H   -3.719300       1.160600      0.8907000    
 H   -2.751100     -0.1214000       1.618200    
 H    6.201200      -2.384900      0.3075000    
 H    7.441000      -1.200900     -0.1553000    
 H    6.282300      -1.763700      -1.377200    
 H   -5.252500      -1.574900      -1.894500    
 H   -4.207000      -2.864000      -1.204400    
 H   -5.896600      -2.703300     -0.6842000    


%chk=000050975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050975

0 1
O 3.889525 -0.873670 -0.030167
O -3.709933 -0.135782 -0.002561
O -3.317546 3.019959 -1.464085
O 5.060342 -0.407397 1.930240
O -2.130247 -1.620387 0.872567
N -1.937310 1.328686 -0.838282
N -2.249687 2.373615 -1.735258
C 0.377497 0.625351 -0.103134
C 1.635258 -0.150654 -0.557760
C -0.720987 0.564891 -1.185623
C 2.727164 -0.110886 0.511807
C -2.785717 1.008255 0.292788
C 5.016085 -0.943504 0.800298
C -3.256438 -1.416370 0.365099
C 6.118377 -1.734271 0.129433
C -4.316424 -2.449658 0.066195
H 0.634615 1.683180 0.101268
H -0.002961 0.179058 0.835665
H 2.033099 0.279050 -1.497284
H 1.373010 -1.205588 -0.765934
H -0.991211 -0.491095 -1.374597
H -0.359014 1.002251 -2.133119
H 3.055918 0.920535 0.738539
H 2.403413 -0.583827 1.457492
H -3.461265 1.859041 0.467165
H -2.176149 0.748695 1.172023
H 5.755062 -2.739699 -0.143916
H 6.978867 -1.818795 0.808249
H 6.429538 -1.233083 -0.803736
H -5.211573 -2.259009 0.683755
H -4.629259 -2.380878 -0.989446
H -3.927650 -3.455016 0.281418


