%chk=000013744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013744

0 1
 O    2.336100      1.7600000E-02  0.8849000    
 O    2.654200      -1.626400      -1.631000    
 O    4.852800      0.9321000       1.726700    
 O   -4.166900      -1.762700      0.3782000    
 N   8.6900003E-02 -0.2401000      0.1598000    
 N   -1.680500       1.406000     -0.1317000    
 N   -1.232000      -2.036300      0.4499000    
 N   -3.904100      0.5087000     -3.0000001E-04
 N   -3.506800       2.800700     -0.3806000    
 C    1.309300      0.5586000      3.7099998E-02
 C    1.860200      0.6262000      -1.384700    
 C    3.061900     -0.2918000      -1.346100    
 C    3.521200     -0.2148000      0.1014000    
 C    4.490300      0.9334000      0.3556000    
 C   -1.199300      0.1782000      7.8800000E-02
 C   1.4100000E-02  -1.598300      0.3865000    
 C   -1.992400     -0.9177000      0.2559000    
 C   -3.435900     -0.7921000      0.2224000    
 C   -3.069100       1.518800     -0.1627000    
 H    1.064100       1.559300      0.4102000    
 H    2.193600       1.651500      -1.584800    
 H    1.123600      0.3532000      -2.147200    
 H    3.832100     -1.6100001E-02  -2.072400    
 H    3.954600      -1.157300      0.4539000    
 H    4.032000       1.904500      0.1450000    
 H    5.397900      0.8345000     -0.2477000    
 H   0.8953000      -2.215000      0.4986000    
 H    3.441400      -2.193000      -1.561400    
 H   -1.094300       2.222900     -0.2682000    
 H    5.296300      8.7200001E-02   1.913600    
 H   -4.496700       3.016700     -0.4253000    
 H   -2.855800       3.568400     -0.5046000    


%chk=000013744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013744

0 1
O 1.658702 1.159081 -0.995571
O 3.899495 -1.609441 -0.143118
O 1.998894 2.211058 1.697691
O -4.202309 -1.085087 0.558671
N -0.023957 -0.462488 -1.480906
N -0.767706 1.247085 0.204096
N -1.868098 -1.821876 -1.379138
N -2.915731 0.770970 1.219911
N -1.636871 2.615951 1.912274
C 1.258338 0.119965 -1.954810
C 2.429730 -0.904424 -1.971122
C 3.394281 -0.429975 -0.841493
C 2.469949 0.455577 0.033779
C 3.064662 1.536585 0.928269
C -0.913527 0.106508 -0.568352
C -0.672538 -1.637468 -1.949951
C -2.037545 -0.734235 -0.497054
C -3.144522 -0.412036 0.431567
C -1.819818 1.506242 1.103881
H 1.101730 0.636184 -2.916409
H 2.929762 -0.938612 -2.951111
H 2.083721 -1.919083 -1.712689
H 4.218683 0.185362 -1.257312
H 1.819480 -0.220998 0.630946
H 3.521813 2.332020 0.317890
H 3.831217 1.103817 1.603661
H -0.220735 -2.286798 -2.696349
H 4.751525 -1.401505 0.314247
H 0.094195 1.802935 0.149856
H 1.705696 1.620574 2.438093
H -2.395834 2.842235 2.549755
H -0.828580 3.228774 1.830599


