%chk=000158695.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158695

0 1
 O   -1.407200       1.583300     -0.7970000    
 O   -2.829500     -0.8591000       1.518400    
 O   -3.587800      -1.083500      -1.246600    
 O   -6.232500     -0.3589000     -0.9505000    
 N   0.9712000      0.7948000      0.6282000    
 N    2.765500       1.825000     -0.1490000    
 N    1.708900      -1.513600      0.5338000    
 N    3.986000      -1.661700     -0.3315000    
 N    5.244600      0.2698000     -0.9736000    
 C   -1.429400      0.4398000      5.5900000E-02
 C   -2.846200      0.2615000      0.6351000    
 C  -0.3794000      0.6197000       1.163600    
 C   -3.920700      5.5900000E-02 -0.4505000    
 C   -5.321100     -0.1501000      0.1242000    
 C    1.860800     -0.1913000      0.3665000    
 C    1.541400       1.985000      0.3092000    
 C    2.978100      0.4696000     -0.1185000    
 C    4.069200     -0.3170000     -0.4740000    
 C    2.828200      -2.169000      0.1564000    
 H   -1.145300     -0.4309000     -0.5461000    
 H   -3.115800       1.145200       1.225900    
 H  -0.3493000     -0.2389000       1.843000    
 H  -0.5914000       1.515800       1.759800    
 H   -3.948900      0.9168000      -1.129200    
 H   -5.360700      -1.040600      0.7596000    
 H   -5.643800      0.7229000      0.6996000    
 H    1.035200       2.933600      0.4262000    
 H   -1.652800       2.357900     -0.2628000    
 H   -2.630900      -1.649600      0.9876000    
 H   -2.850600     -0.8334000      -1.828400    
 H   -7.112600     -0.4844000     -0.5566000    
 H    2.796900      -3.248600      0.2571000    
 H    6.024400     -0.3230000      -1.223900    
 H    5.309500       1.273100      -1.079800    


%chk=000158695-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158695

0 1
O -1.684669 2.143382 -0.060872
O -2.713404 -1.350531 0.943240
O -3.703215 -0.791785 -1.438736
O -6.254721 -0.152641 -1.021075
N 0.960431 0.608027 0.395228
N 2.658163 1.683213 -0.724007
N 2.156501 -1.480318 1.026226
N 4.485342 -1.485326 0.226822
N 5.431929 0.308890 -0.988258
C -1.529126 0.676764 0.099220
C -2.860918 0.070390 0.625309
C -0.345221 0.326450 1.013496
C -3.982100 0.243303 -0.424478
C -5.381431 0.009439 0.160690
C 2.068039 -0.248464 0.445703
C 1.375268 1.749402 -0.316271
C 3.102371 0.433993 -0.250186
C 4.354424 -0.241051 -0.345294
C 3.400211 -2.024444 0.866276
H -1.343160 0.316194 -0.926922
H -3.140062 0.567671 1.576395
H -0.370909 -0.751327 1.251302
H -0.435100 0.878545 1.973126
H -3.921132 1.248582 -0.883336
H -5.385761 -0.907215 0.784398
H -5.695102 0.881885 0.768186
H 0.687581 2.566272 -0.520467
H -1.810888 2.545285 0.838549
H -2.854387 -1.822336 0.072408
H -4.553468 -0.926595 -1.937907
H -7.155541 -0.453885 -0.749464
H 3.552837 -3.016105 1.302650
H 6.302612 -0.216162 -1.029891
H 5.348609 1.226600 -1.419960


