%chk=000086894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086894

1 1
 O   0.7081000     -5.0700001E-02  1.4900000E-02
 O  -3.6100000E-02  -2.242900      7.0000002E-03
 O   -2.952000       2.838000      4.1999999E-03
 O   -4.992600      -1.310100     -1.4000000E-02
 N    4.427800      0.2474000     -6.8999999E-03
 N   -1.656300      0.9351000      6.3999998E-03
 N   -3.992500      0.7770000     -5.4000001E-03
 C    2.981400      0.7196000      2.6699999E-02
 C    4.657800     -0.5947000      -1.253500    
 C    5.354800       1.454300     -3.1700000E-02
 C    4.717400     -0.5892000       1.230900    
 C    2.061400     -0.4853000      2.0099999E-02
 C  -0.2294000      -1.037600      8.7000001E-03
 C   -1.563000     -0.4302000      3.3000000E-03
 C   -2.634300      -1.228600     -3.8999999E-03
 C   -2.869300       1.609400      2.0000001E-03
 C   -3.983300     -0.6115000     -8.6000003E-03
 H    2.835500       1.330800      0.9255000    
 H    2.806100       1.358600     -0.8472000    
 H    4.261200     -5.8100000E-02  -2.120300    
 H    5.737400     -0.7379000      -1.368300    
 H    4.191600      -1.576500      -1.140300    
 H    5.171500       2.048400      0.8685000    
 H    6.390100       1.101200     -5.0999999E-02
 H    5.134900       2.039700     -0.9294000    
 H    4.387500     -3.5700001E-02   2.115000    
 H    4.218500      -1.558500       1.158500    
 H    5.798400     -0.7570000       1.278800    
 H    2.198000      -1.101100     -0.8727000    
 H    2.198100      -1.103600      0.9118000    
 H  -0.7970000       1.477000      1.1900000E-02
 H   -2.581400      -2.311100     -6.2000002E-03
 H   -4.901000       1.232100     -8.6000003E-03


%chk=000086894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086894

1 1
O 0.719160 -0.138787 0.004305
O -0.090685 -2.331195 0.008742
O -2.914786 2.944900 0.007861
O -5.233408 -1.140118 0.008972
N 4.494193 0.223252 -0.011944
N -1.702668 0.946079 0.008403
N -4.057090 0.885012 0.008560
C 2.977735 0.521345 -0.007308
C 4.895274 -0.564819 -1.261512
C 5.229180 1.568889 -0.019171
C 4.904248 -0.556246 1.240047
C 2.077184 -0.722912 0.002167
C -0.329817 -1.110361 0.009341
C -1.658876 -0.446981 0.008986
C -2.809950 -1.202529 0.009247
C -2.906938 1.691189 0.008237
C -4.125931 -0.542848 0.009166
H 2.774984 1.135381 0.886435
H 2.767692 1.127053 -0.905049
H 4.551223 -0.022521 -2.155379
H 5.991448 -0.660005 -1.281974
H 4.442783 -1.566127 -1.230655
H 4.950021 2.136954 0.881177
H 6.314138 1.384766 -0.022719
H 4.943083 2.131214 -0.920933
H 4.567015 -0.007556 2.132601
H 4.451111 -1.557531 1.219445
H 6.000496 -0.651894 1.253140
H 2.193254 -1.359100 -0.892770
H 2.199996 -1.350066 0.902584
H -0.839180 1.491300 0.008252
H -2.772441 -2.292671 0.009581
H -4.953149 1.385236 0.008367


