%chk=000104601.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104601

0 1
 O   -1.184200       1.017400      0.4370000    
 O   -3.358000      0.4487000     -9.9799998E-02
 O   -1.028800      1.5500000E-02  -2.061800    
 O   -1.751400     -0.6618000       2.498700    
 O   -1.987000      -4.179700     -0.4508000    
 N   -1.396100      -2.105300      -1.250200    
 N   -1.762700      -2.446600       1.045100    
 C   -2.784400       2.739500      0.3691000    
 C   -3.420000       3.467900     -0.7613000    
 C   -1.976200       3.702600     -0.4260000    
 C   -2.508500       1.275900      0.2023000    
 C  -0.7844000     -0.3362000      0.3131000    
 C   0.7283000     -0.4442000      0.5281000    
 C    1.482400      0.4908000     -0.4116000    
 C   -1.086900     -0.7608000      -1.109200    
 C   -1.484300      -1.133200       1.394500    
 C    2.971400      0.4005000     -0.1954000    
 C   -1.716800      -2.997600     -0.2318000    
 C    3.578800       1.241100      0.7257000    
 C    3.711100     -0.5215000     -0.9214000    
 C    4.956800       1.157600      0.9253000    
 C    5.088900     -0.6051000     -0.7215000    
 C    5.711900      0.2345000      0.2019000    
 H   -3.080300       3.034400       1.369800    
 H   -4.126100       4.254500     -0.5247000    
 H   -3.641500       2.930000      -1.675000    
 H   -1.235200       3.326800      -1.121000    
 H   -1.713200       4.645800      3.7300002E-02
 H    1.067200      -1.479600      0.3894000    
 H   0.9713000     -0.1752000       1.565400    
 H    1.165600       1.532200     -0.2737000    
 H    1.291500      0.2552000      -1.463600    
 H   -1.478400      -2.456300      -2.200300    
 H   -2.114700      -3.049100       1.783800    
 H    2.999200       1.961700       1.295500    
 H    3.235300      -1.181700      -1.641100    
 H    5.441900       1.810900       1.644700    
 H    5.676800      -1.324300      -1.284300    
 H    6.784800      0.1693000      0.3578000    


%chk=000104601-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104601

0 1
O -0.901855 1.215779 0.063881
O -3.126233 0.690165 -0.373602
O -0.727205 -0.101218 -2.460465
O -1.557278 -0.451186 2.278831
O -2.387048 -4.016812 -0.590334
N -1.429979 -2.078760 -1.479444
N -1.875471 -2.240399 0.839267
C -2.448864 3.024631 -0.067932
C -3.797279 3.530526 0.511287
C -3.539981 3.649654 -0.978427
C -2.252077 1.565298 -0.150050
C -0.636000 -0.235125 0.003439
C 0.882675 -0.390339 0.322313
C 1.826632 0.380047 -0.639415
C -0.957833 -0.756692 -1.416972
C -1.423481 -0.944743 1.134966
C 3.270478 0.260093 -0.170569
C -1.926432 -2.862077 -0.421026
C 3.770426 1.110457 0.850029
C 4.134905 -0.723436 -0.715540
C 5.098706 0.983032 1.313415
C 5.464931 -0.855491 -0.254889
C 5.951017 -0.002707 0.762905
H -1.548059 3.605683 0.134823
H -3.749424 4.427443 1.133865
H -4.495086 2.759460 0.847873
H -4.064644 2.958304 -1.642905
H -3.311339 4.630231 -1.403296
H 1.139247 -1.467544 0.319903
H 1.023120 -0.021472 1.355300
H 1.509937 1.437361 -0.663233
H 1.722646 -0.010394 -1.666825
H -1.548297 -2.481051 -2.415218
H -2.303494 -2.767226 1.607684
H 3.116759 1.882320 1.276144
H 3.766245 -1.382366 -1.512004
H 5.470215 1.651848 2.098128
H 6.121080 -1.617193 -0.691254
H 6.982438 -0.101501 1.119348


