%chk=000099414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099414

0 1
 O   -1.554100     -0.6602000       1.058100    
 O   -2.052500      0.1236000      -1.074500    
 O    4.869300     -0.4343000     -0.6074000    
 N   -3.615300      0.1545000      0.6384000    
 N    3.004100      0.6602000      0.3169000    
 N    5.046600       1.735300      0.1705000    
 C   -4.715900      0.7392000     -0.1059000    
 C   -5.931700      0.8832000      0.8168000    
 C   -4.293000       2.117300     -0.6255000    
 C   -5.071500     -0.1733000      -1.285300    
 C   -2.381600     -0.1020000      8.6300001E-02
 C  -0.2695000     -0.9590000      0.5937000    
 C    1.990600     -0.2946000      0.2290000    
 C   0.7092000      4.1000000E-03  0.6922000    
 C  -3.5200000E-02  -2.204800      5.6699999E-02
 C    2.259100      -1.548400     -0.3202000    
 C    1.246300      -2.503500     -0.4063000    
 C    4.349200      0.5514000     -9.0400003E-02
 C    6.445900       1.911400     -0.1430000    
 H   -5.701400       1.523400       1.676400    
 H   -6.785000       1.323200      0.2889000    
 H   -6.245600     -9.0099998E-02   1.211700    
 H   -3.492300       2.068200      -1.369400    
 H   -3.941200       2.756600      0.1929000    
 H   -5.137200       2.627600      -1.104000    
 H   -5.285500      -1.193000     -0.9440000    
 H   -5.962500      0.1953000      -1.807100    
 H   -4.273600     -0.2392000      -2.031000    
 H   -3.753900     -8.1500001E-02   1.616800    
 H   0.4860000      0.9761000       1.123300    
 H  -0.8234000      -2.948000     -9.6000005E-03
 H    3.223900      -1.854200     -0.6994000    
 H    1.454000      -3.480300     -0.8336000    
 H    2.735100       1.550100      0.7294000    
 H    4.539700       2.524200      0.5595000    
 H    6.869600       2.635400      0.5566000    
 H    6.523900       2.294900      -1.163400    
 H    6.978200      0.9599000     -6.6900000E-02


%chk=000099414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099414

0 1
O -1.675179 -1.038161 0.492755
O -1.810690 1.163492 -0.433523
O 5.057586 -0.452233 0.159953
N -3.697673 -0.112559 0.167551
N 2.938718 0.538627 -0.202105
N 4.899165 1.721380 -0.688036
C -4.781421 0.849058 -0.207636
C -6.116190 0.146021 0.136652
C -4.635045 2.154782 0.616642
C -4.711143 1.153805 -1.726813
C -2.356143 0.126360 0.023135
C -0.259153 -1.188653 0.530380
C 2.059699 -0.494437 0.222464
C 0.668839 -0.209360 0.124542
C 0.162526 -2.442397 1.028693
C 2.507119 -1.746302 0.719369
C 1.545162 -2.701091 1.114833
C 4.345803 0.528035 -0.214534
C 6.350809 1.898580 -0.777110
H -6.177887 -0.087879 1.216090
H -6.962828 0.806824 -0.115213
H -6.233959 -0.791225 -0.439020
H -3.666345 2.637761 0.406797
H -4.696490 1.941550 1.699099
H -5.444178 2.859315 0.352294
H -4.832858 0.227200 -2.316303
H -5.516554 1.856015 -2.008096
H -3.741070 1.610699 -1.983621
H -3.957747 -1.019109 0.560149
H 0.311678 0.748866 -0.259954
H -0.585325 -3.178939 1.334474
H 3.577060 -1.947289 0.785228
H 1.885018 -3.669058 1.499128
H 2.471588 1.383880 -0.537155
H 4.297161 2.494389 -0.972724
H 6.700549 2.723711 -0.128350
H 6.671935 2.097017 -1.816927
H 6.816265 0.960025 -0.435908


