%chk=000161934.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161934

0 1
 O    1.773900      0.1410000      0.9901000    
 O    3.687800      -1.949600     -0.1670000    
 O    2.910600       2.682900      0.6755000    
 O   -1.257500      -2.426900      0.2891000    
 O   -4.148800       1.084600     -0.2437000    
 N  -0.3666000     -0.2832000      0.1455000    
 N   -2.732300     -0.7016000      2.3800001E-02
 C    3.085900     -0.7951000     -0.7487000    
 C   0.9603000     -0.8077000      0.2856000    
 C    1.632200      -1.076400      -1.051100    
 C    3.013600      0.3251000      0.2796000    
 C    2.989100       1.710200     -0.3538000    
 C  -0.6186000       1.074000     -3.0000001E-04
 C   -1.500800      -1.098400      0.1457000    
 C   -1.843800       1.598800     -0.1342000    
 C   -3.007100      0.6472000     -0.1238000    
 C   -2.116600       3.058700     -0.2915000    
 C   -2.461500      -3.183700      0.2792000    
 H    3.670000     -0.5300000      -1.634900    
 H   0.9733000      -1.714800      0.9017000    
 H    1.272200     -0.3814000      -1.819300    
 H    1.437400      -2.095300      -1.400300    
 H    3.818500      0.2629000       1.020300    
 H    2.141400       1.849100      -1.029300    
 H    3.911300       1.884500     -0.9179000    
 H    3.662000      -2.657700     -0.8331000    
 H   0.2479000       1.717600      4.6000001E-03
 H    2.906500       3.555000      0.2455000    
 H   -2.628500       3.252300      -1.239600    
 H   -1.193900       3.648800     -0.2847000    
 H   -2.748900       3.420200      0.5260000    
 H   -2.986000      -3.094600     -0.6788000    
 H   -3.109100      -2.922700       1.123600    
 H   -2.186200      -4.236500      0.3983000    


%chk=000161934-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161934

0 1
O 1.866582 0.185625 1.113755
O 3.977381 -1.780690 0.212214
O 2.446437 2.763216 0.044074
O -1.182407 -2.340754 0.023490
O -4.087196 1.328483 -0.571912
N -0.367525 -0.197383 0.292102
N -2.682450 -0.535360 -0.271296
C 3.106726 -0.926562 -0.604898
C 0.968738 -0.831016 0.595747
C 1.645453 -1.437602 -0.668334
C 2.980282 0.408469 0.153993
C 2.711907 1.588314 -0.792199
C -0.562353 1.193805 0.337712
C -1.478965 -0.981293 0.002473
C -1.791431 1.752166 0.062861
C -2.939571 0.874241 -0.285119
C -2.030269 3.240622 0.113754
C -2.333667 -3.239573 -0.232441
H 3.536503 -0.795410 -1.620078
H 0.799130 -1.580121 1.385563
H 1.144152 -1.066482 -1.579367
H 1.577377 -2.536879 -0.669819
H 3.868633 0.608454 0.773211
H 1.847058 1.373957 -1.457022
H 3.616007 1.737586 -1.421018
H 3.975161 -2.699885 -0.156692
H 0.317793 1.775407 0.627047
H 2.378550 3.568327 -0.527903
H -2.399485 3.606482 -0.861967
H -1.114081 3.791954 0.387678
H -2.823656 3.477339 0.846075
H -2.761253 -3.035781 -1.227382
H -3.114892 -3.081166 0.528429
H -1.906970 -4.251188 -0.170632


