%chk=000002930.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002930

0 1
 O   -2.809300       1.879700     -0.6139000    
 O   -1.344000       3.227300      0.4574000    
 O   -2.264900     -0.9217000       1.462300    
 O   -3.336200      -3.064500      0.2284000    
 N   -1.276800     -0.2375000     -0.5197000    
 N   -2.537500      -2.151100     -0.4731000    
 C  -0.6575000      0.9514000      1.0300000E-02
 C   0.6209000       1.300500     -0.7628000    
 C    1.800500      0.4451000     -0.3675000    
 C   -1.619500       2.130100     -1.6799999E-02
 C    2.627300      0.8629000      0.6633000    
 C    2.034900     -0.7425000      -1.042300    
 C    3.717000      7.2499998E-02   1.028700    
 C    3.124500      -1.532800     -0.6767000    
 C   -2.044900      -1.094200      0.2637000    
 C    3.965600      -1.125200      0.3588000    
 H  -0.4353000      0.7727000       1.070200    
 H   0.4530000       1.221300      -1.845800    
 H   0.8937000       2.352000     -0.5990000    
 H   -1.230600     -0.4137000      -1.519000    
 H    2.440400       1.792700       1.192700    
 H    1.386800      -1.068700      -1.850600    
 H    4.371400      0.3894000       1.835500    
 H    3.318300      -2.465500      -1.198300    
 H    4.813900      -1.740700      0.6435000    
 H   -3.394200       2.667200     -0.6107000    
 H   -2.228200      -2.419600      -1.399600    
 H   -4.219500      -2.717600      1.7200001E-02


%chk=000002930-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002930

0 1
O -2.600235 2.087487 -1.609373
O -1.683633 3.593143 -0.091289
O -1.474965 -0.818793 1.722520
O -2.334582 -3.216456 1.039125
N -1.416442 -0.029343 -0.503991
N -2.206369 -2.194120 0.008969
C -0.849274 1.267331 -0.136824
C 0.578328 1.513803 -0.738823
C 1.582904 0.423320 -0.391487
C -1.739590 2.437537 -0.555794
C 1.809523 0.027299 0.952373
C 2.341581 -0.195170 -1.417108
C 2.774178 -0.956335 1.260242
C 3.310372 -1.178968 -1.112439
C -1.663736 -0.985964 0.467933
C 3.530676 -1.562382 0.229826
H -0.784893 1.285704 0.965323
H 0.492047 1.605106 -1.838446
H 0.921946 2.495850 -0.358560
H -1.822824 -0.127019 -1.435902
H 1.223794 0.473194 1.764532
H 2.177244 0.099384 -2.461380
H 2.932084 -1.252369 2.303177
H 3.889428 -1.642978 -1.918922
H 4.279349 -2.325291 0.470574
H -3.140789 2.878653 -1.877310
H -1.903589 -2.632043 -0.865177
H -2.052735 -2.701080 1.864432