%chk=000152294.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152294

0 1
 O   -1.722000      0.7886000       1.184900    
 O    1.108400      0.4471000       1.546000    
 O    1.359500       2.990300     -6.2600002E-02
 O  -0.8514000       3.273100     -0.5533000    
 N   -2.912800      -1.393200     -0.1483000    
 C   -1.518300     -0.9624000     -0.4318000    
 C   -1.397300      0.5394000     -0.1834000    
 C   1.0900000E-02   1.068100     -0.5109000    
 C   -3.900800     -0.6811000      -1.080900    
 C   -3.298200      -1.064200       1.299500    
 C   -3.065600      -2.905700     -0.3532000    
 C    1.087500      0.3629000      0.3180000    
 C    2.133200     -0.4209000     -0.4611000    
 C   0.1996000       2.593700     -0.3626000    
 C    3.140300      -1.117100      0.4521000    
 C    4.156500      -1.882900     -0.3416000    
 C    5.470600      -1.635600     -0.3107000    
 H  -0.8641000      -1.537700      0.2340000    
 H   -1.281700      -1.217600      -1.471400    
 H   -2.104100       1.100700     -0.7999000    
 H   0.2129000      0.8561000      -1.569800    
 H   -3.543800     -0.7873000      -2.109400    
 H   -4.876700      -1.165300     -0.9714000    
 H   -4.002200      0.3694000     -0.8000000    
 H   -4.132800      -1.723400       1.568200    
 H   -2.463500      -1.299300       1.967000    
 H   -3.692700     -4.8099998E-02   1.382200    
 H   -2.793300      -3.136900      -1.387200    
 H   -2.392700      -3.412800      0.3445000    
 H   -4.104800      -3.187600     -0.1598000    
 H    1.608800      -1.161600      -1.076100    
 H    2.649500      0.2806000      -1.126700    
 H   -1.684600       1.749500       1.326700    
 H    3.628600     -0.3773000       1.098800    
 H    2.618100      -1.815000       1.117900    
 H    3.793500      -2.693400     -0.9684000    
 H    6.155400      -2.230400     -0.9053000    
 H    5.884700     -0.8423000      0.3015000    


%chk=000152294-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152294

0 1
O -1.919623 1.033387 0.588192
O 0.604035 -1.017630 0.977541
O 1.562735 2.450707 -1.263699
O -0.186095 2.716285 0.256482
N -3.318381 -1.355846 -0.000760
C -1.889037 -1.120631 -0.568416
C -1.471195 0.367103 -0.619782
C 0.066643 0.512558 -0.871284
C -4.299282 -0.306738 -0.515043
C -3.260338 -1.284632 1.531416
C -3.779622 -2.741361 -0.422440
C 0.988606 -0.388286 -0.059368
C 2.423806 -0.496097 -0.572906
C 0.548236 2.063416 -0.614205
C 3.427297 -0.981751 0.500180
C 4.756366 -1.383126 -0.100334
C 5.959752 -0.839696 0.212547
H -1.211562 -1.673056 0.101641
H -1.876823 -1.557352 -1.583861
H -1.963121 0.841234 -1.504498
H 0.296330 0.366481 -1.943622
H -4.282595 -0.308470 -1.616349
H -5.307873 -0.561800 -0.151402
H -3.964994 0.666384 -0.120468
H -4.287477 -1.371783 1.922326
H -2.633463 -2.114354 1.893860
H -2.790261 -0.316109 1.773342
H -3.917112 -2.763245 -1.515020
H -3.014327 -3.476278 -0.128827
H -4.731973 -2.973718 0.080384
H 2.409315 -1.210849 -1.426700
H 2.720969 0.478940 -1.004967
H -1.242426 1.890287 0.641140
H 3.573583 -0.184550 1.251973
H 2.972476 -1.839860 1.035050
H 4.717142 -2.188772 -0.853013
H 6.887787 -1.181397 -0.260132
H 6.047104 -0.028997 0.946522


