%chk=000060789.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060789

0 1
 O    3.294400       1.924700      -1.420900    
 O    6.160400      -2.380500      -1.241700    
 O    7.975300      -1.605200      0.7158000    
 O   -8.861400      -1.805600      0.3989000    
 N   0.7922000       1.284400     -0.1473000    
 C   -1.657300       1.288400     -0.2274000    
 C   -2.919300      0.4350000     -8.2099997E-02
 C  -0.3972000      0.4516000     -1.3400000E-02
 C    2.001100      0.5010000      6.4400002E-02
 C   -4.183400       1.278700     -0.2609000    
 C    3.252100       1.371500     -0.1062000    
 C   -5.432900      0.4543000     -8.4600002E-02
 C    4.517700      0.5715000      0.1111000    
 C    4.755100     -0.5442000     -0.6729000    
 C    5.410600      0.9720000       1.090000    
 C   -5.999100     -0.1692000      -1.186300    
 C   -5.996700      0.3336000       1.176800    
 C    5.921500      -1.282200     -0.4719000    
 C    6.577000      0.2341000       1.291100    
 C   -7.155900     -0.9312000      -1.022900    
 C   -7.153500     -0.4286000       1.340100    
 C    6.832500     -0.8931000      0.5101000    
 C   -7.733200      -1.061000      0.2403000    
 H   -1.684500       2.108300      0.5015000    
 H   -1.638700       1.743800      -1.225600    
 H   -2.926900     -4.0600002E-02  0.9070000    
 H   -2.902800     -0.3753000     -0.8218000    
 H  -0.3751000     -0.3640000     -0.7466000    
 H  -0.4293000      3.8999999E-03  0.9872000    
 H    1.997000      6.2399998E-02   1.070200    
 H    2.006900     -0.3210000     -0.6611000    
 H   -4.188600       2.108500      0.4578000    
 H   -4.187400       1.745800      -1.254200    
 H    3.206100       2.213500      0.5958000    
 H   0.8144000       1.709400      -1.073900    
 H    4.057600     -0.8432000      -1.450100    
 H    5.222600       1.847700       1.704300    
 H   -5.556000     -7.5599998E-02  -2.173700    
 H   -5.551800      0.8207000       2.039800    
 H    4.157100       2.357900      -1.539500    
 H    7.282700      0.5425000       2.057700    
 H   -7.597300      -1.419400      -1.887700    
 H   -7.598100     -0.5266000       2.326800    
 H    5.423400      -2.497600      -1.865400    
 H    7.988800      -2.349500      8.9199997E-02
 H   -9.123200      -2.169100     -0.4645000    


%chk=000060789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060789

0 1
O 3.145700 1.617463 -1.654363
O 6.899746 -2.078223 -1.384829
O 8.229865 -1.475617 0.881987
O -9.134798 -1.675439 0.504957
N 0.807721 1.100885 -0.167070
C -1.678578 1.205000 -0.205719
C -3.002270 0.433302 -0.016056
C -0.434589 0.328719 0.038103
C 2.048956 0.337147 0.040241
C -4.254374 1.315997 -0.277651
C 3.270539 1.234484 -0.223120
C -5.559606 0.554734 -0.099619
C 4.593801 0.540401 0.059385
C 5.090870 -0.432922 -0.848273
C 5.331686 0.831449 1.231622
C -6.196194 -0.075591 -1.197626
C -6.156149 0.413696 1.182153
C 6.295394 -1.094701 -0.564894
C 6.543217 0.159670 1.515401
C -7.383127 -0.824137 -1.031713
C -7.339579 -0.328092 1.369463
C 7.030375 -0.808155 0.618135
C -7.952538 -0.949486 0.257557
H -1.639413 2.073935 0.480178
H -1.639352 1.615670 -1.237620
H -3.055602 0.027139 1.014377
H -3.030295 -0.441893 -0.696679
H -0.492277 -0.579132 -0.617801
H -0.444287 -0.040176 1.084188
H 2.089560 -0.017310 1.088284
H 2.133450 -0.566694 -0.615915
H -4.221945 2.184674 0.409858
H -4.189443 1.723177 -1.306194
H 3.174260 2.139773 0.412439
H 0.830779 1.561015 -1.088601
H 4.530211 -0.642433 -1.768044
H 4.959124 1.587276 1.932766
H -5.761546 0.021624 -2.200131
H -5.688344 0.897520 2.048651
H 3.900354 2.214557 -1.888566
H 7.121471 0.376498 2.418151
H -7.860828 -1.299905 -1.898778
H -7.801318 -0.432864 2.355860
H 6.362755 -2.266778 -2.190858
H 8.407829 -2.114997 0.142419
H -9.484314 -2.068758 -0.332753


