%chk=000080816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080816

0 1
 O    1.927500      -2.312600      0.4840000    
 O   -4.645800     -0.8731000     -0.3734000    
 O   -4.587600       1.212100      0.3104000    
 N    1.593500     -1.5100000E-02  1.9000000E-03
 N    2.384300       1.088800     -0.2301000    
 N   -4.008900      0.1516000     -2.8600000E-02
 C    3.764300     -0.7572000      0.1560000    
 C    3.615200      0.6959000     -0.1492000    
 C    2.328200      -1.185600      0.2470000    
 C   0.2085000      2.6200000E-02 -5.7999999E-03
 C  -0.5303000      -1.100100     -0.3861000    
 C  -0.4662000       1.194600      0.3668000    
 C    4.791800       1.587400     -0.3367000    
 C   -1.924500      -1.058600     -0.3939000    
 C   -1.860400       1.236100      0.3590000    
 C   -2.589600      0.1095000     -2.1400001E-02
 H    4.272900      -1.272900     -0.6605000    
 H    4.274100     -0.9008000       1.110300    
 H  -5.9200000E-02  -2.015900     -0.7290000    
 H   8.0100000E-02   2.083300      0.6734000    
 H    5.395400       1.586700      0.5746000    
 H    4.466700       2.608300     -0.5530000    
 H    5.397300       1.218000      -1.168300    
 H   -2.460100      -1.951800     -0.7055000    
 H   -2.344700       2.162500      0.6570000    


%chk=000080816-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080816

0 1
O 2.046750 -2.535798 -0.150061
O -4.774114 -0.820506 -0.022863
O -4.586190 1.452482 0.064485
N 1.606708 -0.180936 -0.054651
N 2.376108 1.037757 -0.011841
N -4.073264 0.265838 0.013144
C 3.863525 -0.796908 -0.092742
C 3.653545 0.699791 -0.032741
C 2.428692 -1.340163 -0.105491
C 0.191654 -0.084129 -0.039209
C -0.614739 -1.257488 -0.080401
C -0.414769 1.202410 0.018368
C 4.733962 1.736487 0.002260
C -2.013948 -1.137757 -0.063092
C -1.812801 1.316913 0.035147
C -2.602274 0.145165 -0.005422
H 4.410202 -1.122509 -0.996358
H 4.419677 -1.191399 0.777088
H -0.142001 -2.240114 -0.125385
H 0.221356 2.088562 0.049326
H 5.389957 1.594611 0.881724
H 4.295998 2.746224 0.046742
H 5.377938 1.667923 -0.894738
H -2.656069 -2.021737 -0.093309
H -2.303402 2.292582 0.078920


