%chk=000094928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094928

0 1
 O   -2.843400      0.8460000      0.1696000    
 O   -3.165500      -1.438900      0.2309000    
 N    1.171200      -1.524100     -3.5599999E-02
 C    2.089700     -0.4702000     -2.7899999E-02
 C  -0.1929000      -1.458400     -0.1072000    
 C    3.312200     -0.5984000      0.6447000    
 C    1.799800      0.7287000     -0.6927000    
 C  -0.8447000      -2.638100     -0.7830000    
 C  -0.9669000     -0.4611000      0.3599000    
 C    4.228200      0.4534000      0.6527000    
 C    2.716000       1.780400     -0.6848000    
 C    3.930100       1.642800     -1.2100000E-02
 C   -2.446200     -0.4534000      0.2477000    
 C   -4.255600       1.052400      5.7000000E-02
 C   -4.532100       2.538900     -1.9099999E-02
 H    1.572500      -2.455800     -1.3300000E-02
 H    3.557400      -1.519700       1.167800    
 H   0.8776000      0.8619000      -1.252200    
 H  -0.5289000      0.4043000      0.8492000    
 H   -1.296500      -3.308600     -4.4599999E-02
 H   -1.595900      -2.330900      -1.518300    
 H  -0.1080000      -3.226300      -1.343800    
 H    5.173800      0.3462000       1.176200    
 H    2.487300       2.704300      -1.208000    
 H    4.644100       2.461200     -7.1999999E-03
 H   -4.625200      0.5601000     -0.8494000    
 H   -4.757700      0.6266000      0.9329000    
 H   -5.604700       2.733300     -0.1062000    
 H   -4.151500       3.047700      0.8727000    
 H   -4.021200       2.982200     -0.8802000    


%chk=000094928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094928

0 1
O -2.932431 0.951003 0.037251
O -3.226148 -1.311927 -0.482793
N 1.186151 -1.481708 -0.122145
C 2.108841 -0.398012 -0.062347
C -0.207256 -1.492154 -0.221608
C 3.342422 -0.618658 0.610969
C 1.884783 0.849592 -0.704571
C -0.785438 -2.878791 -0.445747
C -0.990723 -0.357848 -0.084030
C 4.327684 0.388796 0.648935
C 2.874665 1.854180 -0.651065
C 4.097412 1.637320 0.025124
C -2.442714 -0.356296 -0.205652
C -4.409346 1.105873 -0.047370
C -4.715046 2.568266 0.265788
H 1.614404 -2.405879 -0.033475
H 3.521155 -1.578205 1.112826
H 0.966500 1.022546 -1.270912
H -0.544093 0.604716 0.170243
H -1.271267 -3.253322 0.473389
H -1.579022 -2.846726 -1.207794
H -0.004491 -3.596575 -0.757151
H 5.270897 0.201247 1.173795
H 2.689850 2.810049 -1.153800
H 4.858327 2.423802 0.061275
H -4.739875 0.814579 -1.061660
H -4.881927 0.413170 0.673504
H -5.805507 2.744114 0.219195
H -4.361712 2.835746 1.276606
H -4.223093 3.237604 -0.461081


