%chk=000135298.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135298

0 1
 O    1.174500       1.861000      -1.416900    
 O  -8.6700000E-02  -1.347100       1.665300    
 O   -1.654200       1.603300       1.556300    
 O   -5.196600     -0.6183000     -0.3719000    
 N   0.1813000      0.2993000      1.7100001E-02
 N   -3.393300      0.4547000      0.5815000    
 C    2.387100      0.8651000      0.4504000    
 C    2.106700     -0.5224000       1.037500    
 C   -1.179300      0.3820000     -0.4754000    
 C    1.207700       1.084600     -0.4742000    
 C   0.5942000     -0.5838000      0.9957000    
 C    3.759500       1.064900     -0.1840000    
 C    2.661700      -1.699500      0.2187000    
 C   -1.652300     -0.9582000      -1.015400    
 C    4.362300     -0.1646000     -0.7808000    
 C    3.872700      -1.395100     -0.6010000    
 C   -2.060800      0.8573000      0.6656000    
 C   -3.089100     -0.8324000      -1.488200    
 C   -3.995300     -0.3506000     -0.3804000    
 H    2.264000       1.621200       1.240300    
 H    2.455000     -0.5717000       2.075200    
 H   -1.234500       1.143400      -1.263100    
 H    4.454700       1.424900      0.5851000    
 H    3.716000       1.844900     -0.9529000    
 H    1.898000      -2.108600     -0.4559000    
 H    2.907100      -2.513200      0.9131000    
 H   -1.603800      -1.744600     -0.2532000    
 H   -1.013300      -1.280700      -1.846000    
 H    5.256300     -3.7999999E-02  -1.385000    
 H    4.373200      -2.233500      -1.077700    
 H   -3.449600      -1.807500      -1.833400    
 H   -3.165600     -0.1258000      -2.322100    
 H   -4.003300      0.7899000       1.322200    


%chk=000135298-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135298

0 1
O 1.033922 1.867291 -1.471843
O -0.092766 -1.540446 1.538913
O -1.587579 1.497194 1.647701
O -5.379537 -0.398161 -0.227004
N 0.168769 0.171826 -0.071575
N -3.438525 0.509076 0.655204
C 2.407847 0.836580 0.368669
C 2.160080 -0.574355 0.982297
C -1.229449 0.297587 -0.485508
C 1.184590 1.052853 -0.531977
C 0.636432 -0.730469 0.919170
C 3.776775 1.111547 -0.300353
C 2.809654 -1.736364 0.165932
C -1.817745 -0.997023 -1.090231
C 4.621907 -0.122255 -0.538723
C 4.203195 -1.393852 -0.320159
C -2.065927 0.816034 0.708270
C -3.292444 -0.768086 -1.479380
C -4.137925 -0.233568 -0.329016
H 2.264623 1.576085 1.184011
H 2.505074 -0.633290 2.026860
H -1.234176 1.099097 -1.255348
H 4.358437 1.823782 0.316443
H 3.596682 1.639073 -1.259689
H 2.172585 -1.983691 -0.710259
H 2.822530 -2.645324 0.793876
H -1.734217 -1.816151 -0.355401
H -1.232230 -1.278531 -1.982857
H 5.638847 0.056191 -0.913062
H 4.878705 -2.233950 -0.527599
H -3.769616 -1.698124 -1.829388
H -3.367064 -0.040531 -2.313293
H -4.007159 0.870853 1.431821


