%chk=000041579.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041579

0 1
 O   -4.438600       1.541800      0.2201000    
 O    1.469000      -1.411100     -0.3323000    
 N   0.2550000      0.5913000     -0.1530000    
 C   -1.086600      0.1452000     -6.9899999E-02
 C    3.843600      0.2978000      9.5200002E-02
 C   -2.104500       1.077700      3.5399999E-02
 C   -1.350200      -1.213800     -9.6799999E-02
 C    2.619400      0.6667000     -0.3236000    
 C    1.397400     -0.1908000     -0.2632000    
 C   -3.425700      0.6382000      0.1163000    
 C   -2.671500      -1.653400     -1.5799999E-02
 C   -3.709300     -0.7274000      9.0599999E-02
 C    4.997400       1.259800     -2.1299999E-02
 C    4.204700      -1.021800      0.7183000    
 H   0.3701000       1.602300     -0.1192000    
 H   -1.881200       2.141300      5.5000000E-02
 H  -0.6047000      -1.991000     -0.1750000    
 H    2.475800       1.664000     -0.7338000    
 H   -2.893800      -2.716400     -3.5200000E-02
 H   -4.736500      -1.076000      0.1534000    
 H    4.708800       2.203700     -0.4958000    
 H    5.397600       1.495900      0.9702000    
 H    5.797800      0.8178000     -0.6241000    
 H    4.709300      -1.659500     -1.4200000E-02
 H    4.886200     -0.8673000       1.562500    
 H    3.345300      -1.561600       1.121900    
 H   -4.062100       2.438600      0.2233000    


%chk=000041579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041579

0 1
O -4.546271 1.583820 -0.222352
O 1.441309 -1.446134 0.274915
N 0.230580 0.548850 0.009831
C -1.109870 0.078292 0.028602
C 3.945000 0.305797 0.128816
C -2.135998 1.056649 -0.102656
C -1.454374 -1.292801 0.166933
C 2.632099 0.693535 0.046194
C 1.429137 -0.182245 0.124583
C -3.490406 0.661150 -0.095623
C -2.819985 -1.654884 0.170061
C -3.848054 -0.699692 0.040757
C 5.046296 1.344753 0.018922
C 4.417126 -1.118860 0.326773
H 0.336565 1.559448 -0.103244
H -1.872519 2.119173 -0.209685
H -0.663065 -2.035589 0.267523
H 2.434776 1.767105 -0.097290
H -3.085600 -2.712367 0.276658
H -4.905357 -0.977777 0.042855
H 4.652770 2.366973 -0.114010
H 5.684871 1.331952 0.923981
H 5.711688 1.113917 -0.836100
H 5.094338 -1.410168 -0.500616
H 5.013210 -1.191218 1.258463
H 3.576934 -1.824636 0.377847
H -4.202501 2.506956 -0.313137


