%chk=000050211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050211

0 1
 O    2.971100     -3.5999998E-02 -0.9851000    
 O   -3.305700       1.650000      -1.390300    
 O   -4.723200      -2.278100      0.5028000    
 N   -2.991100     -0.8059000       1.051300    
 N   -4.296300     -0.3257000     -0.6862000    
 C   -2.458000      0.4654000      0.5817000    
 C   -1.001200      0.3311000      0.1612000    
 C   -3.380600      0.6978000     -0.6245000    
 C   -2.773000       1.552000       1.617900    
 C   -4.084900      -1.252800      0.3086000    
 C  -0.6186000     -0.6867000     -0.7122000    
 C  -4.9100000E-02   1.225900      0.6495000    
 C    1.659300      8.5699998E-02 -0.6065000    
 C   0.7164000     -0.8100000      -1.097300    
 C    1.285900       1.102800      0.2644000    
 C    5.219900     -0.4209000     -0.2581000    
 C    3.950900      0.3934000     -4.9800001E-02
 C    6.314000     -2.1400001E-02  0.7278000    
 C    7.564500     -0.8665000      0.5449000    
 H   -2.614400      -1.314300       1.845400    
 H   -3.843700       1.572800       1.858400    
 H   -2.240100       1.375000       2.559400    
 H   -2.515700       2.552700       1.252000    
 H   -5.023700     -0.3987000      -1.388300    
 H   -1.342400      -1.393400      -1.108700    
 H  -0.3021000       2.036100       1.324900    
 H    1.010500      -1.603700      -1.778300    
 H    1.990600       1.836300      0.6439000    
 H    5.571400     -0.2916000      -1.289400    
 H    4.986100      -1.488000     -0.1532000    
 H    3.619300      0.2369000      0.9850000    
 H    4.157800       1.458100     -0.2091000    
 H    5.951500     -0.1382000       1.755800    
 H    6.569400       1.035900      0.5920000    
 H    7.348800      -1.927200      0.7087000    
 H    7.972100     -0.7503000     -0.4644000    
 H    8.335400     -0.5624000       1.259800    


%chk=000050211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050211

0 1
O 2.951642 -0.941123 0.119236
O -2.666234 2.470150 -0.895317
O -5.220295 -1.488078 -1.109070
N -3.537538 -0.739938 0.404338
N -4.045276 0.587242 -1.326311
C -2.651339 0.427591 0.586393
C -1.154959 0.075140 0.461891
C -3.087998 1.322024 -0.626031
C -2.963539 1.172928 1.911610
C -4.363824 -0.666104 -0.707878
C -0.720782 -1.250214 0.202247
C -0.177188 1.091767 0.587984
C 1.617414 -0.533040 0.240209
C 0.648507 -1.556540 0.098081
C 1.199143 0.800924 0.480327
C 5.348115 -0.617655 0.047546
C 4.003991 0.089153 0.230892
C 6.537905 0.367255 0.131433
C 7.898095 -0.338453 -0.055226
H -3.613858 -1.506738 1.069669
H -4.042516 1.394792 1.985609
H -2.660843 0.554644 2.774992
H -2.409289 2.124561 1.951956
H -4.512129 0.902835 -2.176817
H -1.456485 -2.049189 0.064751
H -0.487734 2.130397 0.740830
H 0.988779 -2.577377 -0.100304
H 1.925019 1.613225 0.576558
H 5.352253 -1.131260 -0.932930
H 5.452025 -1.401829 0.821772
H 3.941842 0.575964 1.227004
H 3.851004 0.861729 -0.551796
H 6.522407 0.885112 1.112293
H 6.421535 1.155031 -0.640692
H 8.052853 -1.111965 0.720034
H 7.954351 -0.835923 -1.041437
H 8.736045 0.379063 0.010153


