%chk=000134311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134311

0 1
 O    2.498000     -0.9123000      -1.964200    
 O    3.282300       2.902800      0.4756000    
 O   -5.271900     -0.2527000       1.119700    
 N    2.869000      0.9651000     -0.6988000    
 N   -4.097900      0.6718000     -0.7158000    
 C    1.352400     -0.8001000      0.1784000    
 C    1.884100     -0.2743000       1.530800    
 C    1.450600      -2.343500      0.1814000    
 C  -0.1150000     -0.4037000     -6.2500000E-02
 C    1.937200       1.245600       1.553200    
 C    2.296100     -0.2866000     -0.9215000    
 C    2.768400       1.786000      0.4182000    
 C    2.869400      -2.800900      0.4472000    
 C  -0.4522000      0.3421000      -1.187000    
 C   -1.092600     -0.7945000      0.8464000    
 C   -1.782200      0.7013000      -1.405100    
 C   -2.422700     -0.4354000      0.6282000    
 C   -2.767500      0.3126000     -0.4974000    
 C   -5.205400      0.3767000      7.3100001E-02
 H    2.909200     -0.6149000       1.717500    
 H    1.278700     -0.6301000       2.372500    
 H    1.118900      -2.747900     -0.7844000    
 H   0.7988000      -2.793300      0.9400000    
 H    2.387200       1.578700       2.495300    
 H   0.9370000       1.686200       1.488300    
 H    3.447400       1.322100      -1.454600    
 H    3.141600      -2.699000       1.502300    
 H    2.942600      -3.872500      0.2260000    
 H    3.630800      -2.305700     -0.1596000    
 H   0.2747000      0.6681000      -1.922600    
 H  -0.8492000      -1.373900       1.731900    
 H   -2.037300       1.284200      -2.286500    
 H   -3.132900     -0.7696000       1.372400    
 H   -4.277500       1.216800      -1.556300    
 H   -6.110300      0.8109000     -0.3855000    


%chk=000134311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134311

0 1
O 2.528166 -0.475011 -2.003474
O 3.263032 3.007660 0.936043
O -5.218932 0.524128 1.294137
N 2.846758 1.203932 -0.456947
N -4.184170 0.478118 -0.832294
C 1.425989 -0.771974 0.202136
C 1.931679 -0.382890 1.619918
C 1.530435 -2.318417 -0.038631
C -0.056745 -0.367265 -0.042900
C 1.938873 1.141630 1.850785
C 2.300319 -0.039149 -0.841484
C 2.730299 1.878407 0.782222
C 2.928681 -2.941231 0.163226
C -0.548789 -0.197629 -1.364599
C -0.987619 -0.262810 1.021392
C -1.905904 0.081834 -1.604421
C -2.352733 0.013651 0.801114
C -2.822296 0.192236 -0.525915
C -5.258717 0.623380 0.038449
H 2.959926 -0.768177 1.745273
H 1.320515 -0.883286 2.391535
H 1.196636 -2.514194 -1.073384
H 0.797136 -2.804544 0.634235
H 2.377756 1.407981 2.827261
H 0.908544 1.547181 1.841360
H 3.393275 1.689192 -1.180412
H 3.275847 -2.876200 1.210033
H 2.899514 -4.012985 -0.104328
H 3.679446 -2.459575 -0.488248
H 0.133660 -0.290006 -2.216153
H -0.661646 -0.405621 2.056935
H -2.255692 0.211993 -2.636857
H -3.053764 0.091009 1.634247
H -4.401090 0.592152 -1.826506
H -6.198587 0.846580 -0.517149


