%chk=000071971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071971

0 1
 O  -0.2478000     -0.1081000     -0.8635000    
 O   -2.432600      -1.838600     -0.6868000    
 N   -4.219700      0.1874000      0.4645000    
 C   -1.347300      0.2367000     -3.0800000E-02
 C   -2.058900      -1.035100      0.4338000    
 C   -2.312000       1.153300     -0.7802000    
 C   -3.324200     -0.6931000       1.223300    
 C   -3.557200       1.427600      5.9700001E-02
 C   0.9930000      0.2719000     -0.4295000    
 C    1.981700     -0.6777000     -0.1886000    
 C    1.253000       1.625200     -0.2327000    
 C    3.240800     -0.2708000      0.2528000    
 C    1.691200      -2.129100     -0.4022000    
 C    3.505900       1.084200      0.4514000    
 C    2.512100       2.032200      0.2087000    
 C    4.321900      -1.266000      0.5202000    
 H   -1.009000      0.7641000      0.8735000    
 H   -1.385400      -1.644000       1.047400    
 H   -2.592100      0.7003000      -1.740300    
 H   -1.817500       2.097900      -1.033500    
 H   -3.873100      -1.613800       1.450700    
 H   -3.060000     -0.2203000       2.176800    
 H   -3.294000       2.018300      0.9456000    
 H   -4.260300       2.028200     -0.5276000    
 H   -5.034400      0.4107000       1.035500    
 H   -1.627900      -2.003400      -1.206800    
 H   0.4960000       2.378900     -0.4275000    
 H    2.486500      -2.608200     -0.9827000    
 H    1.591700      -2.638700      0.5617000    
 H   0.7676000      -2.298200     -0.9640000    
 H    4.481800       1.418600      0.7933000    
 H    2.719400       3.087500      0.3607000    
 H    5.199300     -0.7963000      0.9787000    
 H    3.978000      -2.039300       1.214900    
 H    4.651800      -1.733700     -0.4130000    


%chk=000071971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071971

0 1
O -0.257171 -0.636161 0.186926
O -2.602621 -2.022552 -0.171289
N -4.307046 0.473196 -0.082098
C -1.506441 0.107864 0.478514
C -2.527383 -0.988125 0.861849
C -1.985244 0.931188 -0.730786
C -3.927163 -0.370957 1.056702
C -3.362361 1.553821 -0.395995
C 0.992971 0.017368 0.246296
C 2.125598 -0.802212 -0.031911
C 1.136423 1.389054 0.567631
C 3.420121 -0.209238 0.004390
C 1.947737 -2.269967 -0.376510
C 3.560655 1.166057 0.323062
C 2.427991 1.955647 0.606465
C 4.654243 -1.044665 -0.292245
H -1.350868 0.763881 1.361129
H -2.202084 -1.443159 1.823367
H -2.105276 0.255659 -1.595845
H -1.254018 1.717400 -0.990886
H -4.651988 -1.197564 1.158701
H -3.903105 0.184937 2.031576
H -3.233143 2.285956 0.446715
H -3.736534 2.119842 -1.267672
H -5.294933 0.739406 -0.099738
H -1.667910 -2.241827 -0.425496
H 0.266797 2.016510 0.780310
H 1.991160 -2.432221 -1.472271
H 2.746390 -2.886918 0.072123
H 0.975739 -2.646000 -0.022537
H 4.560924 1.612900 0.346876
H 2.543633 3.017176 0.851975
H 5.557090 -0.412332 -0.335872
H 4.821362 -1.815150 0.485982
H 4.564757 -1.580213 -1.255939


