%chk=000026819.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026819

0 1
 O    1.571400      -1.962600      -1.218900    
 O    4.237800      -1.368800      -1.068200    
 O    5.133500      0.5880000      0.6657000    
 O   -4.257000      -2.926200      0.5970000    
 O   -4.059400      -1.304600      -1.653300    
 O   -3.811200       3.869900     -0.5113000    
 N   -1.710600       2.840400     -0.6767000    
 C  -0.7943000       1.886900     -8.3600000E-02
 C  -0.3663000       2.413900       1.304500    
 C   0.5443000       1.505400       2.140900    
 C   -1.352700      0.4504000     -9.5799997E-02
 C    1.530000      0.7260000       1.307300    
 C    1.068800     -0.2812000      0.4318000    
 C  -0.3929000     -0.5776000      0.3571000    
 C    1.986000     -0.9753000     -0.3715000    
 C    2.900000       1.008500       1.373000    
 C   -2.574500      0.1729000     -0.5916000    
 C  -0.7199000      -1.788900      0.8469000    
 C    3.347600     -0.6831000     -0.2948000    
 C    3.803400      0.3041000      0.5767000    
 C   -1.280700       3.522000      -1.887300    
 C   -3.271700      -1.129800     -0.7254000    
 C   -2.951000       3.093300     -0.1109000    
 C   -2.020700      -2.373700       1.033600    
 C   -3.139500      -2.148100      0.3410000    
 C    1.217300      -1.569300      -2.541500    
 C    4.787200      -2.563000     -0.5167000    
 C    5.641700       1.591400     -0.2110000    
 C   -5.066500      -2.321000       1.583000    
 H   9.3400002E-02   1.891500     -0.7323000    
 H   -1.232500       2.668200       1.927200    
 H   0.1615000       3.365400       1.144900    
 H  -6.1700001E-02  0.8015000       2.726200    
 H    1.069500       2.116200       2.886000    
 H    3.265800       1.782200       2.044000    
 H   -3.175600      0.9393000      -1.067400    
 H   7.0299998E-02  -2.445800       1.214900    
 H  -0.3669000       4.083400      -1.672200    
 H   -1.084400       2.776400      -2.663300    
 H   -2.048700       4.213500      -2.243400    
 H   -3.125300       2.513400      0.8097000    
 H   -2.039000      -3.160600       1.787200    
 H    2.089900      -1.170800      -3.068600    
 H   0.4166000     -0.8236000      -2.530300    
 H   0.8612000      -2.453500      -3.077200    
 H    5.473400      -2.994600      -1.250400    
 H    5.346900      -2.343200      0.3978000    
 H    3.997000      -3.290800     -0.3072000    
 H    6.713900       1.697900     -2.5000000E-02
 H    5.495100       1.300700      -1.256100    
 H    5.155300       2.552600     -1.6500000E-02
 H   -4.536700      -2.233500       2.538100    
 H   -5.421300      -1.336100       1.259200    
 H   -5.942500      -2.956800       1.743000    


%chk=000026819-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026819

0 1
O 1.663647 -1.772104 -1.214497
O 4.398200 -1.080261 -1.031996
O 5.187083 1.001512 0.847576
O -4.132780 -3.123194 0.792274
O -4.907572 -0.530986 -0.120092
O -3.079708 4.782660 -0.866102
N -1.695832 2.893805 -0.671148
C -0.826177 2.001015 0.128128
C -0.436244 2.574715 1.518765
C 0.498928 1.594524 2.290226
C -1.374097 0.553579 0.271085
C 1.520021 0.909025 1.396535
C 1.078384 -0.098226 0.478714
C -0.370792 -0.485673 0.416297
C 2.058204 -0.737016 -0.333506
C 2.881146 1.266232 1.455218
C -2.758211 0.402721 0.224628
C -0.662145 -1.854303 0.550614
C 3.438809 -0.402932 -0.240996
C 3.850266 0.631027 0.643134
C -1.754176 2.623794 -2.120800
C -3.679392 -0.732139 0.220858
C -2.392291 3.983633 -0.166902
C -1.896298 -2.547502 0.648003
C -3.222759 -2.099074 0.589897
C 1.785225 -1.436675 -2.653473
C 4.624352 -2.491149 -0.627447
C 6.010989 1.304460 -0.345688
C -5.553388 -2.885436 1.152464
H 0.120791 1.919021 -0.444997
H -1.332265 2.750685 2.142146
H 0.069422 3.547323 1.365971
H -0.128718 0.825370 2.778858
H 1.008389 2.153332 3.094910
H 3.226363 2.039060 2.149354
H -3.323993 1.330298 0.054452
H 0.214777 -2.505441 0.634898
H -0.745047 2.697352 -2.569429
H -2.161564 1.614954 -2.313961
H -2.413721 3.376764 -2.579786
H -2.300026 4.101756 0.929753
H -1.816399 -3.627722 0.827187
H 2.828841 -1.174656 -2.902353
H 1.106226 -0.600016 -2.904988
H 1.474936 -2.344278 -3.192824
H 5.381825 -2.878458 -1.325863
H 5.006903 -2.531053 0.409071
H 3.687207 -3.068317 -0.715249
H 7.012565 1.526525 0.052154
H 6.040561 0.444786 -1.033930
H 5.607084 2.195017 -0.864342
H -5.618668 -2.257068 2.058066
H -6.086567 -2.392099 0.329129
H -5.937016 -3.896368 1.358306


