%chk=000127964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127964

0 1
 O  -0.7558000     -0.7293000     -0.7419000    
 O    4.643500       3.499900     -0.9909000    
 N   -6.583700       1.052500      0.2706000    
 C   -2.904800      0.2762000     -0.3192000    
 C   -4.400800      1.8500000E-02 -0.1465000    
 C   -2.142500      -1.010400     -0.6074000    
 C   -5.160500       1.320700      0.1000000    
 C    1.047300      -1.535900      0.6164000    
 C    1.126400     -0.2385000       1.351100    
 C   0.1143000      -1.730400     -0.3965000    
 C    2.070700      0.7654000      0.7224000    
 C    1.924900      -2.565900      0.9551000    
 C   4.8900001E-02  -2.943100      -1.074900    
 C    1.864400      -3.784400      0.2788000    
 C    1.583700       1.646000     -0.2262000    
 C    3.397900      0.7775000       1.112100    
 C   0.9264000      -3.973000     -0.7360000    
 C   -7.316500       2.283600      0.5306000    
 C    2.453400       2.570200     -0.8054000    
 C    4.267600       1.701800      0.5332000    
 C    3.795300       2.598200     -0.4255000    
 H   -2.494100      0.7476000      0.5825000    
 H   -2.731400      0.9885000      -1.135500    
 H   -4.556500     -0.6700000      0.6937000    
 H   -4.793700     -0.4743000      -1.044800    
 H   -2.315600      -1.724500      0.2085000    
 H   -2.503400      -1.457000      -1.541200    
 H   -4.757600       1.811500      0.9946000    
 H   -5.006900       1.994600     -0.7514000    
 H    1.432400     -0.4197000       2.391300    
 H   0.1285000      0.2092000       1.454900    
 H    2.660800      -2.434600       1.744000    
 H  -0.6703000      -3.100900      -1.873500    
 H   -6.720000      0.4080000       1.048900    
 H    2.547900      -4.586300      0.5422000    
 H   0.5401000       1.640800     -0.5246000    
 H    3.775200      8.4399998E-02   1.858100    
 H   0.8808000      -4.921000      -1.263900    
 H   -6.975800       2.767800       1.451700    
 H   -7.217900       2.987500     -0.3022000    
 H   -8.381000       2.056500      0.6443000    
 H    2.072600       3.264300      -1.549800    
 H    5.311800       1.718800      0.8332000    
 H    4.148800       4.039200      -1.631600    


%chk=000127964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127964

0 1
O -0.873838 -0.813113 0.348978
O 4.515168 3.684584 -1.265558
N -6.744552 1.259107 -0.234561
C -3.049818 0.234075 0.264721
C -4.520072 0.148719 -0.202925
C -2.242667 -0.992028 -0.167571
C -5.342802 1.383812 0.212842
C 1.327670 -1.677554 0.761520
C 1.633773 -0.434813 1.596253
C 0.055870 -1.854587 0.142163
C 2.382040 0.656256 0.826241
C 2.299489 -2.686152 0.573752
C -0.227314 -3.009908 -0.626910
C 2.035585 -3.841911 -0.197369
C 1.785815 1.298145 -0.289411
C 3.687957 1.056671 1.207812
C 0.767143 -3.999760 -0.795283
C -7.592340 2.428077 0.064937
C 2.469091 2.306192 -1.001806
C 4.386718 2.062364 0.506424
C 3.773414 2.686286 -0.601345
H -3.002884 0.320301 1.367364
H -2.572358 1.143007 -0.149622
H -4.990639 -0.763492 0.223119
H -4.574597 0.049174 -1.304431
H -2.678328 -1.923457 0.251643
H -2.217237 -1.081073 -1.273933
H -5.249067 1.534406 1.320434
H -4.913281 2.288214 -0.263491
H 2.240848 -0.733787 2.471054
H 0.681864 -0.025588 1.979616
H 3.283073 -2.556533 1.041802
H -1.205463 -3.146380 -1.097184
H -7.166330 0.381541 0.098636
H 2.808159 -4.607228 -0.326195
H 0.776022 1.004407 -0.596717
H 4.168891 0.576848 2.069177
H 0.544579 -4.890336 -1.393744
H -7.629119 2.708158 1.147090
H -7.216739 3.307435 -0.490985
H -8.625244 2.236441 -0.275865
H 1.990465 2.793162 -1.862490
H 5.394202 2.372034 0.799902
H 4.001652 4.048283 -2.028782


