%chk=000025988.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025988

0 1
 O    3.625600       1.283600      8.5600004E-02
 O   -1.482300      0.7427000      -2.116100    
 O    2.454600      0.9971000       2.007600    
 O    2.372700      -2.851700      -1.157300    
 O   -1.780300       2.227300     -0.4290000    
 O    1.991900      -2.014900      0.9166000    
 O   -3.437400      -1.363800     -0.5564000    
 N   0.1949000      0.3833000      0.7503000    
 N    1.061600       1.813400     -0.9820000    
 N   -4.525200     -0.3971000       1.225000    
 C    1.333600      0.6361000     -0.1493000    
 C   -1.036400     -3.9000001E-02  9.6400000E-02
 C    1.688500     -0.5773000      -1.040500    
 C   -2.106000     -0.3166000       1.154900    
 C    2.496200      0.9900000      0.7843000    
 C   -1.464200       1.106200     -0.8066000    
 C    2.017500      -1.861000     -0.2961000    
 C   -3.405200     -0.7582000      0.5123000    
 H  -0.8881000     -0.9502000     -0.4917000    
 H   1.9500000E-02   1.212200       1.319000    
 H   0.8825000     -0.7994000      -1.749200    
 H    2.577900     -0.3380000      -1.639400    
 H   -1.782500      -1.118700       1.829400    
 H   -2.290500      0.5772000       1.764700    
 H   0.9058000       2.626700     -0.3879000    
 H    1.873800       2.026200      -1.559700    
 H    4.376000       1.500200      0.6791000    
 H   -1.766800       1.481000      -2.695900    
 H   -4.472800      0.1024000       2.107000    
 H   -5.453800     -0.6314000      0.8900000    
 H    2.594200      -3.683000     -0.6859000    


%chk=000025988-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025988

0 1
O 3.771871 1.098597 0.151987
O -2.307961 1.124676 -1.803633
O 2.335847 1.495517 1.937043
O 1.893699 -3.021241 -0.736408
O -1.655668 2.483880 -0.037290
O 2.807832 -1.746596 0.973666
O -3.395424 -1.983251 -0.320152
N 0.254000 0.284605 0.620420
N 1.141528 1.695751 -1.167816
N -4.471740 -0.287394 0.845919
C 1.418128 0.594150 -0.205182
C -1.047011 0.068623 -0.009714
C 1.876233 -0.636428 -1.029974
C -2.018089 -0.502231 1.066242
C 2.525836 1.061595 0.781259
C -1.662043 1.358062 -0.592336
C 2.243220 -1.805309 -0.140078
C -3.341367 -0.993829 0.465347
H -0.966959 -0.667271 -0.826329
H 0.239348 0.814032 1.501237
H 1.081479 -0.931171 -1.732755
H 2.770342 -0.371795 -1.625271
H -1.510840 -1.372957 1.516447
H -2.175133 0.255551 1.857349
H 0.779415 2.547221 -0.721776
H 1.890338 1.875025 -1.845627
H 4.457115 1.427086 0.792808
H -2.720479 1.969534 -2.133272
H -4.426108 0.519675 1.465405
H -5.375172 -0.577047 0.470933
H 2.163064 -3.771761 -0.139249