%chk=000115512.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115512

0 1
 O   0.2753000      -2.146400       1.069200    
 O  -2.9400000E-02   1.708700      -1.748900    
 O   -3.737500     -0.1294000      0.1975000    
 N   -1.704700      -1.100600      0.6340000    
 N   -1.850700      0.8069000     -0.7135000    
 C   0.3957000      3.9999999E-04 -6.8599999E-02
 C    1.646400     -0.4399000     -0.9053000    
 C    1.021200      0.8037000       1.136700    
 C    2.821000     -0.3759000      6.7199998E-02
 C    2.524000      0.8957000      0.8429000    
 C  -0.3259000      -1.195700      0.5666000    
 C  -0.4885000      0.9011000     -0.9397000    
 C    1.544200      -1.764600      -1.651600    
 C   0.4222000       2.170100       1.455500    
 C   -2.513200     -0.1341000      5.7999998E-02
 H    1.850700      0.3148000      -1.677500    
 H   0.9198000      0.2088000       2.056200    
 H    3.784100     -0.3219000     -0.4497000    
 H    2.838800      -1.244000      0.7357000    
 H    3.118300      0.9628000       1.759500    
 H    2.750300       1.775000      0.2274000    
 H   0.6345000      -1.799900      -2.259400    
 H    2.400200      -1.882000      -2.325600    
 H    1.549800      -2.628100     -0.9814000    
 H  -0.6454000       2.087200       1.681600    
 H   0.9124000       2.602100       2.335000    
 H   0.5522000       2.878600      0.6316000    
 H   -2.182200      -1.842900       1.137800    
 H   -2.436500       1.471100      -1.212000    


%chk=000115512-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115512

0 1
O 0.198214 -1.925853 1.450585
O 0.004958 2.016613 -1.403779
O -3.774816 -0.512437 -0.483396
N -1.733338 -1.213720 0.417536
N -1.848893 0.758769 -0.866627
C 0.397615 0.081533 0.052291
C 1.578589 -0.468770 -0.891735
C 1.170911 0.877794 1.216784
C 2.859859 -0.329472 -0.034493
C 2.631733 0.997467 0.715387
C -0.359420 -1.082812 0.697802
C -0.467456 1.024780 -0.786735
C 1.354422 -1.856745 -1.516685
C 0.534561 2.201353 1.677478
C -2.542450 -0.334875 -0.321938
H 1.650662 0.281186 -1.703702
H 1.179964 0.172362 2.070248
H 3.765736 -0.325745 -0.667333
H 2.938358 -1.172054 0.678253
H 3.331099 1.151606 1.556827
H 2.730473 1.855471 0.023204
H 0.425333 -1.898612 -2.116447
H 2.193467 -2.093612 -2.196319
H 1.311747 -2.648156 -0.748318
H -0.502450 2.062785 2.038462
H 1.121126 2.615691 2.517844
H 0.525413 2.951166 0.868057
H -2.216253 -2.013466 0.840413
H -2.412060 1.409351 -1.424462


