%chk=000048785.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048785

0 1
 O   0.6667000       2.390800     -0.8199000    
 O  -0.5595000      -1.196900       1.950500    
 O    3.288800      -1.364700     -0.5434000    
 N    1.924000      0.4731000     -0.7552000    
 N    1.311200      -1.319300      0.6282000    
 C  -0.3543000      0.4186000      0.1538000    
 C   -1.198400     -0.1747000     -0.9884000    
 C   -1.227400       1.364000      0.9917000    
 C   0.7785000       1.209700     -0.4925000    
 C   0.1092000     -0.7487000       1.019400    
 C   -1.719200      0.9388000      -1.892600    
 C  -0.4085000       2.051200       2.061100    
 C   -2.341200     -0.9729000     -0.4231000    
 C    2.239700     -0.7853000     -0.2571000    
 C   -2.509200      -2.283700     -0.6325000    
 H  -0.5712000     -0.8309000      -1.608700    
 H   -2.044600      0.8411000       1.500100    
 H   -1.681500       2.163500      0.3996000    
 H  -0.9274000       1.509100      -2.383600    
 H   -2.413600       1.629000      -1.406800    
 H   -2.293300      0.4871000      -2.713600    
 H   8.2400002E-02   1.339200       2.731500    
 H   0.3567000       2.717600       1.654200    
 H   -1.065200       2.671700       2.681700    
 H   -3.116500     -0.4568000      0.1370000    
 H    2.643200      0.9332000      -1.306300    
 H    1.578700      -2.180500       1.096800    
 H   -3.371400      -2.799300     -0.2238000    
 H   -1.795600      -2.862900      -1.207700    


%chk=000048785-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048785

0 1
O 0.812435 2.373552 -0.943545
O -0.570821 -1.055438 2.083771
O 3.237228 -1.567264 -0.524504
N 1.943325 0.364343 -0.784973
N 1.241396 -1.349862 0.678791
C -0.355446 0.515559 0.192294
C -1.246540 -0.145906 -0.995616
C -1.158810 1.556366 1.015394
C 0.827950 1.188096 -0.522765
C 0.080143 -0.656739 1.087313
C -1.931760 0.934936 -1.872697
C -0.365388 2.182593 2.183341
C -2.281536 -1.116289 -0.454804
C 2.207812 -0.906617 -0.239845
C -2.385933 -2.409793 -0.846235
H -0.544569 -0.719643 -1.634346
H -2.061361 1.059579 1.412561
H -1.479831 2.358026 0.329619
H -1.229535 1.728831 -2.180241
H -2.778139 1.407164 -1.344235
H -2.337343 0.452603 -2.779411
H -0.062280 1.420376 2.921961
H 0.534230 2.711801 1.820540
H -0.993208 2.923747 2.709411
H -3.005992 -0.708653 0.264808
H 2.685058 0.757313 -1.373727
H 1.461757 -2.220756 1.172905
H -3.176566 -3.062290 -0.460599
H -1.685176 -2.854538 -1.564765


