%chk=000077217.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077217

0 1
 O    3.844700     -0.2523000      0.7625000    
 O  -2.0099999E-02  0.7836000      0.3391000    
 O    3.119700      0.3502000      -1.331800    
 O  -0.6820000       2.753100     -0.7202000    
 O   -5.641700      -1.615200      -1.083800    
 O   -6.089700     -0.7203000      0.8701000    
 N    2.458200       1.506500      0.5675000    
 N   -5.290400     -0.9760000     -6.2700003E-02
 C    4.601000      -1.319700      0.1898000    
 C    3.640300      -2.265100     -0.5298000    
 C    5.312300      -2.043400       1.331100    
 C    5.616000     -0.7272000     -0.7866000    
 C    3.137200      0.5208000     -0.1173000    
 C    1.616200       2.491800     -7.0900001E-02
 C   0.1763000       2.048800     -0.1979000    
 C   -1.342200      0.3426000      0.2381000    
 C   -1.720900     -0.3604000     -0.8838000    
 C   -2.214300      0.6270000       1.265200    
 C   -3.946600     -0.5287000      4.0399998E-02
 C   -3.040300     -0.8017000     -0.9841000    
 C   -3.533600      0.1856000       1.165100    
 H    3.275800      -1.897900      -1.492400    
 H    4.133700      -3.220400     -0.7456000    
 H    2.759900      -2.474500      8.8900000E-02
 H    4.588000      -2.427300       2.058800    
 H    5.966600      -1.355700       1.879000    
 H    5.916600      -2.881600      0.9691000    
 H    6.111100      0.1503000     -0.3545000    
 H    6.391200      -1.465100      -1.026000    
 H    5.197300     -0.4206000      -1.748400    
 H    2.543600       1.530900       1.579100    
 H    1.650400       3.395200      0.5444000    
 H    2.004500       2.699300      -1.072400    
 H   -1.014400     -0.5734000      -1.679900    
 H   -1.892000       1.182200       2.140500    
 H   -3.326300      -1.355300      -1.874800    
 H   -4.212000      0.4169000       1.982400    


%chk=000077217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077217

0 1
O 3.780346 -0.330023 0.580662
O -0.118920 1.110330 0.259865
O 3.166815 0.844152 -1.394516
O -0.599682 3.411359 0.456647
O -5.186614 -2.718230 -0.013150
O -6.263436 -0.735047 0.326026
N 2.541324 1.550909 0.748446
N -5.192049 -1.438583 0.166372
C 4.578167 -1.412678 -0.141253
C 3.637161 -2.194405 -1.079617
C 5.060767 -2.283315 1.031208
C 5.758492 -0.763423 -0.890827
C 3.166452 0.690764 -0.143969
C 1.737719 2.660484 0.273533
C 0.216619 2.476114 0.355958
C -1.438952 0.586256 0.244014
C -1.470738 -0.815773 0.046333
C -2.628429 1.339296 0.413845
C -3.887898 -0.736481 0.191335
C -2.702632 -1.487661 0.018562
C -3.862905 0.660678 0.386044
H 3.261145 -1.548965 -1.889027
H 4.187202 -3.041263 -1.528913
H 2.780748 -2.602979 -0.513720
H 4.202341 -2.690684 1.592642
H 5.684072 -1.692867 1.724447
H 5.662368 -3.126511 0.647940
H 6.370638 -0.159341 -0.197736
H 6.401798 -1.554973 -1.316382
H 5.402041 -0.120091 -1.710519
H 2.574028 1.313634 1.739759
H 1.970838 3.598105 0.808217
H 1.990081 2.811949 -0.794844
H -0.525684 -1.349611 -0.085478
H -2.589060 2.418943 0.556687
H -2.765319 -2.567920 -0.132720
H -4.804743 1.200851 0.512326


