%chk=000083437.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083437

0 1
 O   0.3461000       2.536400     -6.9999998E-04
 O   -2.652700      -1.594800      1.5000000E-03
 N   -1.605300      0.5170000      9.9999997E-05
 C  -0.2425000      0.2099000      5.0000002E-04
 C    2.471700     -0.4346000      3.0000001E-04
 C   0.7150000       1.224100      1.0000000E-03
 C    2.072100      0.9019000      1.1000000E-03
 C   0.1570000      -1.126600     -1.9999999E-04
 C    1.514100      -1.448800     -3.9999999E-04
 C    3.922500     -0.7799000     -1.3000000E-03
 C   -2.689900     -0.3686000     -8.9999998E-04
 C   -4.008100      0.3641000     -1.0000000E-03
 H    2.814400       1.696500      2.9000000E-03
 H  -0.5199000      -1.968800     -5.0000002E-04
 H    1.814300      -2.493500      6.0000003E-04
 H   -1.851200       1.501000      2.6600000E-02
 H    4.509800     -1.6200000E-02 -0.5224000    
 H    4.289600     -0.8643000       1.026300    
 H    4.102500      -1.729100     -0.5175000    
 H   -4.103700      0.9514000      0.9166000    
 H   -4.831300     -0.3541000     -5.1399998E-02
 H   -4.065000       1.028200     -0.8681000    
 H  -0.5641000       2.628200     -0.3203000    


%chk=000083437-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083437

0 1
O 0.047812 2.434889 -0.158372
O -2.753077 -1.643235 0.134278
N -1.702145 0.449796 -0.011388
C -0.333255 0.074819 -0.011634
C 2.487892 -0.438654 -0.029048
C 0.612212 1.137457 -0.089988
C 1.994983 0.891865 -0.099415
C 0.153762 -1.251817 0.057127
C 1.547173 -1.493431 0.047261
C 3.982942 -0.706184 -0.030626
C -2.819075 -0.378945 0.058332
C -4.158450 0.355896 0.037424
H 2.699638 1.732900 -0.162003
H -0.565905 -2.070138 0.115890
H 1.905143 -2.527854 0.100479
H -1.855132 1.460675 -0.069798
H 4.476921 -0.251653 -0.910085
H 4.470742 -0.287129 0.870405
H 4.193202 -1.788928 -0.049874
H -4.714751 0.114000 0.959682
H -4.757587 -0.016515 -0.811396
H -4.065321 1.452617 -0.045295
H 0.747674 3.128971 -0.209156


