%chk=000058047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058047

0 1
 O   -2.391600       1.751700       1.069600    
 O  -0.9209000       1.783000     -0.7640000    
 O   0.9348000     -0.7292000      0.6022000    
 O    1.233300     -0.4860000      -1.683500    
 O    4.575500      0.6415000       1.270200    
 N    2.963900      0.1033000     -0.2531000    
 N    3.425400      0.2036000       1.158000    
 C   -1.222900       1.152200      0.4903000    
 C   -1.408400     -0.3305000      0.2909000    
 C   -2.536700       2.983900      0.3655000    
 C   -2.020000       2.660600      -1.010000    
 C  -0.3199000      -1.200200      0.3566000    
 C   -2.686000     -0.8300000      3.8600001E-02
 C  -0.5091000      -2.569500      0.1698000    
 C   -2.875200      -2.199300     -0.1482000    
 C   -1.786800      -3.069100     -8.2599998E-02
 C    1.685300     -0.3744000     -0.5446000    
 C    3.859300      0.5086000      -1.325600    
 H  -0.3926000       1.349600       1.178100    
 H   -1.914200       3.735700      0.8628000    
 H   -3.578200       3.314400      0.3716000    
 H   -2.763700       2.112800      -1.598800    
 H   -1.695000       3.540800      -1.570000    
 H   -3.549300     -0.1738000     -2.8899999E-02
 H   0.3341000      -3.253200      0.2200000    
 H   -3.869500      -2.588300     -0.3474000    
 H   -1.934000      -4.135200     -0.2286000    
 H    4.764000     -0.1056000      -1.286900    
 H    4.119300       1.563300      -1.194400    
 H    3.393500      0.3831000      -2.306600    


%chk=000058047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058047

0 1
O -2.357160 1.874156 1.133779
O -0.287078 1.772279 0.023968
O 0.926736 -0.842808 0.403234
O 1.138749 -0.311997 -1.880546
O 4.271811 0.912901 1.234344
N 2.807647 0.282199 -0.339872
N 3.143613 0.354910 1.046897
C -1.136372 1.065411 0.999269
C -1.469250 -0.358696 0.548014
C -2.429928 2.771177 -0.057089
C -1.254556 2.321187 -0.955941
C -0.435888 -1.271507 0.233736
C -2.802000 -0.825864 0.474982
C -0.688296 -2.597557 -0.152533
C -3.082974 -2.154960 0.084534
C -2.027799 -3.041738 -0.228646
C 1.560629 -0.287511 -0.707568
C 3.700919 0.851342 -1.366175
H -0.584098 1.081515 1.953205
H -2.311305 3.809800 0.297584
H -3.415462 2.643432 -0.537075
H -1.552286 1.535932 -1.676216
H -0.748862 3.146497 -1.477728
H -3.604552 -0.130981 0.740305
H 0.149036 -3.262437 -0.384223
H -4.121366 -2.499217 0.033422
H -2.241550 -4.073265 -0.527586
H 4.677957 0.339599 -1.339206
H 3.867858 1.922487 -1.161204
H 3.220229 0.717514 -2.344667