%chk=000080779.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080779

0 1
 O    3.232900      0.6981000     -0.3488000    
 O   -3.236200       1.398400     -3.5700001E-02
 N   -2.124300     -0.6769000      8.6099997E-02
 N    2.525800      -2.011100     -6.7699999E-02
 C  -0.7756000     -0.3367000     -2.3000000E-02
 C    1.548400     -0.9924000     -0.1008000    
 C   0.2002000      -1.333000      8.2000000E-03
 C    1.921000      0.3444000     -0.2411000    
 C  -0.4030000       1.000100     -0.1631000    
 C   0.9453000       1.340700     -0.2721000    
 C   -3.235500      0.1767000      7.5599998E-02
 C   -4.528300     -0.5864000      0.2189000    
 C    3.929500      0.9781000      0.8635000    
 H  -8.9400001E-02  -2.376100      0.1176000    
 H   -1.099600       1.826100     -0.1954000    
 H    1.229200       2.384000     -0.3817000    
 H   -2.314600      -1.672000      0.1856000    
 H    2.247300      -2.978200      3.1300001E-02
 H    3.504300      -1.773900     -0.1619000    
 H   -4.648400      -1.271100     -0.6252000    
 H   -5.370600      0.1108000      0.2341000    
 H   -4.522300      -1.155000       1.153100    
 H    3.912200      0.1121000       1.532600    
 H    3.490300       1.846900       1.363900    
 H    4.969600       1.206900      0.6156000    


%chk=000080779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080779

0 1
O 3.420115 0.146339 0.277184
O -3.170275 1.409512 0.244639
N -2.170027 -0.707448 0.036210
N 2.452127 -2.316845 -0.032606
C -0.776324 -0.394384 0.104525
C 1.525480 -1.283187 0.062299
C 0.128233 -1.487029 0.002996
C 2.008711 0.055568 0.227133
C -0.288334 0.923418 0.265205
C 1.111299 1.131049 0.324408
C -3.263631 0.152744 0.103890
C -4.624158 -0.537274 -0.010935
C 3.992445 1.480728 0.446743
H -0.255435 -2.508615 -0.123638
H -0.988871 1.754866 0.340767
H 1.483275 2.152943 0.446647
H -2.386117 -1.699477 -0.079051
H 2.159348 -3.281790 -0.140364
H 3.440853 -2.088777 0.020632
H -5.162555 -0.122137 -0.880511
H -5.222067 -0.300033 0.885729
H -4.566803 -1.634699 -0.119765
H 3.658270 1.940704 1.397172
H 3.720378 2.141840 -0.398916
H 5.082265 1.332484 0.469205


