%chk=000091551.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091551

0 1
 O   -2.897200      0.1499000       1.456500    
 O   -4.539600     -0.6798000     -0.5959000    
 N  -0.3312000     -0.1790000      0.1243000    
 C   -2.666700      0.6321000      0.1322000    
 C   -1.186200      0.9662000     -3.9900001E-02
 C   -3.163300     -0.4199000     -0.8545000    
 C    1.054200     -0.1289000      4.4599999E-02
 C    1.716800       1.084800     -0.2095000    
 C    1.826800      -1.291100      0.2156000    
 C    3.108500       1.134700     -0.2903000    
 C    3.218500      -1.241000      0.1350000    
 C    3.859300     -2.8000001E-02 -0.1180000    
 H   -3.261000       1.547100      2.4800001E-02
 H   -1.040300       1.406700      -1.033600    
 H  -0.9236000       1.720000      0.7130000    
 H  -0.7467000      -1.068600      0.3776000    
 H   -2.633900      -1.369900     -0.7354000    
 H   -3.056300     -7.2700001E-02  -1.886700    
 H    1.172000       2.014200     -0.3509000    
 H    1.343000      -2.245100      0.4131000    
 H   -3.846600     -4.5800000E-02   1.535100    
 H    3.608100       2.078800     -0.4875000    
 H    3.803400      -2.146300      0.2690000    
 H    4.942800      1.0900000E-02 -0.1809000    
 H   -4.829500      -1.346700      -1.241500    


%chk=000091551-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091551

0 1
O -2.883083 -0.237674 1.397231
O -4.442437 -0.738989 -0.737764
N -0.358386 -0.113908 0.350299
C -2.700990 0.593934 0.196812
C -1.231109 1.046259 0.184817
C -3.091004 -0.224260 -1.045268
C 1.026194 -0.083022 0.152795
C 1.695585 1.054754 -0.389758
C 1.806250 -1.234625 0.480416
C 3.090226 1.023800 -0.609249
C 3.196388 -1.247337 0.262254
C 3.855432 -0.120476 -0.289695
H -3.356560 1.487957 0.256259
H -1.023243 1.550825 -0.779580
H -1.083692 1.800350 0.989831
H -0.745292 -0.824466 0.977846
H -2.371728 -1.053967 -1.191644
H -3.107599 0.424072 -1.944551
H 1.136320 1.965123 -0.628904
H 1.308281 -2.117107 0.902417
H -3.746931 -0.715858 1.273182
H 3.582612 1.910018 -1.027486
H 3.771061 -2.144091 0.523063
H 4.937007 -0.134700 -0.459445
H -4.732002 -1.384010 -1.427675


