%chk=000158987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158987

0 1
 O    3.454000       2.265200       1.650000    
 O    3.848000       3.343500     -0.8815000    
 O    2.929400      -4.452000     -0.1577000    
 N   -3.690100     -0.2929000     -0.3577000    
 C   -3.507100      0.8689000      0.5347000    
 C  -0.9770000      0.6323000      0.3354000    
 C   -2.180400       1.585700      0.2273000    
 C   -1.221000     -0.6156000     -0.5532000    
 C   -2.584900      -1.255500     -0.2174000    
 C   -4.665600       1.870000      0.3750000    
 C   -4.972600     -0.9693000     -0.1048000    
 C   -6.018200       1.205700      0.6003000    
 C   -6.155900     -2.1199999E-02 -0.2900000    
 C   0.3199000       1.359000      1.1900000E-02
 C  -0.1052000      -1.646400     -0.4468000    
 C    1.305000       1.482300      0.9872000    
 C   0.5125000       1.896900      -1.257100    
 C   0.6331000      -1.982800      -1.576600    
 C   0.1664000      -2.244300      0.7795000    
 C    2.493500       2.149300      0.6908000    
 C    1.700900       2.564000      -1.553600    
 C    1.654600      -2.927700      -1.478900    
 C    1.187900      -3.189100      0.8770000    
 C    2.691500       2.690100     -0.5796000    
 C    1.932000      -3.530800     -0.2521000    
 C    3.173000       1.684600       2.922100    
 C    4.916000       2.560000      -1.410400    
 C    3.160200      -5.029900       1.126300    
 H   -3.485700      0.5292000       1.580300    
 H  -0.9337000      0.3065000       1.384500    
 H   -2.046700       2.424100      0.9239000    
 H   -2.234000       2.026500     -0.7772000    
 H   -1.278600     -0.2889000      -1.601900    
 H   -2.749200      -2.097000     -0.9038000    
 H   -2.581000      -1.673200      0.7982000    
 H   -4.646500       2.311000     -0.6306000    
 H   -4.546600       2.696800       1.085600    
 H   -4.996800      -1.390500      0.9091000    
 H   -5.095000      -1.803900     -0.8060000    
 H   -6.825500       1.915700      0.3901000    
 H   -6.112700      0.9108000       1.652500    
 H   -7.089900     -0.5445000     -5.6400001E-02
 H   -6.217800      0.2911000      -1.340100    
 H    1.098100       1.042500       1.956600    
 H  -0.2436000       1.808900      -2.031700    
 H   0.4291000      -1.521100      -2.538600    
 H  -0.3993000      -1.991400       1.671400    
 H    1.848600       2.982800      -2.545400    
 H    2.231200      -3.189500      -2.361900    
 H    1.350900      -3.617800       1.859900    
 H    3.057600      0.5975000       2.853100    
 H    2.316200       2.166200       3.405600    
 H    4.043200       1.871100       3.560100    
 H    5.217300       1.786900     -0.6966000    
 H    5.768600       3.220400      -1.591200    
 H    4.621100       2.101000      -2.359300    
 H    2.291900      -5.600600       1.472700    
 H    3.479400      -4.276900       1.854800    
 H    3.986700      -5.739900       1.017400    


%chk=000158987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158987

0 1
O 3.651012 2.128557 1.394928
O 3.850353 3.397375 -1.147166
O 3.000613 -4.460668 -0.149740
N -3.793180 -0.298423 -0.323573
C -3.626273 0.923655 0.516623
C -1.062332 0.694972 0.313343
C -2.296653 1.620235 0.164694
C -1.296112 -0.605841 -0.529788
C -2.659971 -1.235347 -0.145735
C -4.814914 1.889316 0.312021
C -5.083847 -0.989870 -0.065924
C -6.172601 1.202878 0.569518
C -6.288893 -0.062442 -0.308687
C 0.238149 1.403069 -0.062380
C -0.166786 -1.622301 -0.387137
C 1.327743 1.417875 0.842322
C 0.396210 2.043933 -1.315515
C 0.650886 -1.958183 -1.498660
C 0.106950 -2.264807 0.845474
C 2.549605 2.052814 0.519861
C 1.616045 2.667949 -1.651099
C 1.692537 -2.897792 -1.391628
C 1.146574 -3.214326 0.976793
C 2.704227 2.680305 -0.753954
C 1.942288 -3.533581 -0.150926
C 3.506093 1.513776 2.715278
C 5.149690 2.699333 -1.066596
C 3.286336 -5.154705 1.105899
H -3.597059 0.628457 1.604449
H -0.994538 0.386077 1.378740
H -2.170406 2.511177 0.809760
H -2.366518 1.979319 -0.880201
H -1.365004 -0.301028 -1.592993
H -2.838096 -2.123440 -0.781156
H -2.606002 -1.599903 0.915720
H -4.784457 2.262911 -0.730996
H -4.683719 2.761988 0.980917
H -5.128044 -1.371596 0.990370
H -5.137748 -1.871302 -0.732948
H -7.005102 1.901747 0.362481
H -6.248174 0.915753 1.638990
H -7.225006 -0.611071 -0.088986
H -6.311054 0.227265 -1.377120
H 1.209132 0.921760 1.811427
H -0.426131 2.054870 -2.039578
H 0.469901 -1.468126 -2.462804
H -0.499277 -2.029280 1.728932
H 1.755869 3.164964 -2.616524
H 2.322052 -3.154624 -2.249153
H 1.320771 -3.693674 1.945311
H 3.327442 0.423547 2.635516
H 2.682894 1.983402 3.288137
H 4.463579 1.698117 3.224890
H 5.394183 2.437016 -0.024308
H 5.881800 3.416619 -1.468692
H 5.136388 1.785512 -1.692555
H 2.417327 -5.752582 1.444928
H 3.578612 -4.444105 1.904339
H 4.129838 -5.823731 0.880062


