%chk=000156532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156532

0 1
 O    5.086100      -1.801400      -1.012300    
 O    3.529900      -2.731300      0.5750000    
 O  -0.2803000      0.7687000       2.549300    
 O   -2.655600     -0.2565000       2.431000    
 O   -4.767600      -1.005200      0.8280000    
 O   -4.611000     -0.6560000      -1.913600    
 N   0.8889000       2.749100      0.5696000    
 C    2.936800       1.151500     -0.6380000    
 C    2.019800      0.5945000      0.2795000    
 C    2.705500       2.556500      -1.114800    
 C    2.089100       3.381700      8.6000003E-03
 C   0.9110000       1.466900      0.7098000    
 C    3.998100      0.3801000      -1.125000    
 C    2.161100     -0.7180000      0.7388000    
 C    4.117600     -0.9131000     -0.6574000    
 C    3.227400      -1.444500      0.2485000    
 C  -0.3030000      0.8760000       1.334300    
 C   -1.446800      0.4661000      0.4969000    
 C    4.708500      -2.949900     -0.2264000    
 C   -2.576800     -8.3200000E-02   1.080100    
 C   -1.357700      0.6460000     -0.8742000    
 C   -3.647300     -0.4632000      0.2705000    
 C   -3.573000     -0.2888000      -1.111400    
 C   -2.428100      0.2656000      -1.683700    
 C   -5.125100      -2.321200      0.4124000    
 C   -5.607600      0.3299000      -2.175800    
 H    3.646500       3.020400      -1.431100    
 H    2.033100       2.526700      -1.980600    
 H    2.813900       3.547200      0.8157000    
 H    1.814000       4.368100     -0.3805000    
 H    4.703900      0.7819000      -1.843900    
 H    1.473300      -1.163300       1.448000    
 H    5.541100      -3.210000      0.4375000    
 H    4.521700      -3.791800     -0.9028000    
 H  -0.4876000       1.074200      -1.360600    
 H   -2.363500      0.4036000      -2.759600    
 H   -1.833500      5.9000002E-03   2.870600    
 H   -4.258000      -2.900100      7.5400002E-02
 H   -5.880900      -2.273200     -0.3764000    
 H   -5.565700      -2.837000       1.270800    
 H   -6.078900      0.6598000      -1.244600    
 H   -6.373000     -0.1186000      -2.815000    
 H   -5.170900       1.185900      -2.700000    


%chk=000156532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156532

0 1
O 5.888194 -1.689730 -0.218809
O 4.168270 -2.732925 1.091887
O -0.210637 -0.368020 1.747645
O -2.617619 -0.953417 1.673984
O -5.128806 -0.795434 0.430856
O -5.301220 0.841353 -2.026626
N 0.796043 2.382128 -0.040411
C 3.282652 0.985311 -0.644589
C 2.244046 0.363531 0.123116
C 2.981094 2.323830 -1.301663
C 2.023179 3.139534 -0.411618
C 0.944391 1.095784 0.215200
C 4.538749 0.351520 -0.819782
C 2.461908 -0.908678 0.741774
C 4.722072 -0.894517 -0.214348
C 3.704293 -1.504219 0.550329
C -0.308936 0.375999 0.677783
C -1.582275 0.495549 -0.018196
C 5.502509 -2.951195 0.481796
C -2.727465 -0.209753 0.522826
C -1.771229 1.266402 -1.209528
C -4.000673 -0.155295 -0.117606
C -4.144824 0.642137 -1.287607
C -3.015995 1.341088 -1.822676
C -5.022396 -2.254682 0.664731
C -6.623690 0.317876 -1.625247
H 3.910591 2.891116 -1.488592
H 2.502190 2.152361 -2.289183
H 2.534871 3.433704 0.530180
H 1.702981 4.068518 -0.913836
H 5.334665 0.821378 -1.404032
H 1.690340 -1.364288 1.363484
H 6.236225 -3.153927 1.277300
H 5.435823 -3.763395 -0.265473
H -0.925301 1.822493 -1.615402
H -3.177509 1.934348 -2.726477
H -1.613311 -0.873150 1.975442
H -4.270512 -2.463653 1.441582
H -4.758530 -2.779203 -0.274671
H -6.025528 -2.560326 0.999929
H -6.651783 -0.782000 -1.696068
H -7.314185 0.767475 -2.355761
H -6.877262 0.624370 -0.599043


