%chk=000159633.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159633

0 1
 O    2.105400      0.7943000       1.649000    
 O   -1.243400       3.753400      0.2792000    
 O    4.416100     -5.8899999E-02  0.4980000    
 O   -2.795300       2.639800      -1.709300    
 N   -2.683600      -2.259200      0.4109000    
 C  -0.5659000      3.4800000E-02  0.6713000    
 C   -1.493500      -1.890600     -0.3245000    
 C   -1.540700     -0.3823000     -0.3662000    
 C   -1.152300     -0.6891000       1.972800    
 C   0.7961000     -0.5302000      0.1064000    
 C  -0.5226000      -2.232800      -1.437000    
 C   -2.524700      -1.544300       1.750700    
 C   0.8050000      -1.538700     -0.9544000    
 C  -0.5531000       1.536900      0.8388000    
 C   -2.278000      0.4120000      -1.149200    
 C    2.021600     -5.9900001E-02  0.5903000    
 C   -2.827000      -3.700800      0.5702000    
 C   -1.268400       2.388400      9.0300001E-02
 C    2.016900      -1.962400      -1.505300    
 C   -2.161600       1.878200     -0.9856000    
 C    3.217800     -0.5139000      2.8200001E-02
 C    3.215200      -1.444900      -1.015200    
 C   6.6299997E-02   4.261100      0.1100000    
 C    4.949700       1.109200     -0.1194000    
 H  -0.8148000      -2.307800      0.4406000    
 H   -1.359100      4.5100000E-02   2.762300    
 H  -0.3926000      -1.369100       2.382500    
 H  -0.8185000      -1.856600      -2.421900    
 H  -0.3627000      -3.315700      -1.496000    
 H   -2.626800      -2.244800       2.588900    
 H   -3.363200     -0.8403000       1.827200    
 H   2.3399999E-02   1.942400       1.665400    
 H   -2.962300      2.2600001E-02  -1.892900    
 H   -2.909700      -4.185100     -0.4088000    
 H   -3.747300      -3.930100       1.118100    
 H   -1.986100      -4.153000       1.108300    
 H    2.035900      -2.709000      -2.294000    
 H    4.155300      -1.788100      -1.440400    
 H    3.041600      0.9452000       1.864100    
 H   0.5252000       3.904900     -0.8200000    
 H   0.7045000       4.022100      0.9669000    
 H  -2.0000001E-03   5.351900      4.8400000E-02
 H    4.253300       1.949300     -3.2099999E-02
 H    5.172500      0.9158000      -1.173500    
 H    5.880000       1.372500      0.3913000    


%chk=000159633-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159633

0 1
O 2.049792 0.974001 1.528490
O -1.514390 3.820087 -0.129305
O 4.330623 0.374197 0.384511
O -3.153494 2.534941 -1.863123
N -2.605258 -2.354792 0.426495
C -0.613261 0.168197 0.574157
C -1.383684 -1.875940 -0.276581
C -1.567191 -0.378888 -0.421963
C -1.223052 -0.557677 1.912433
C 0.749155 -0.417070 -0.008814
C -0.500261 -2.232687 -1.489562
C -2.587484 -1.371984 1.631704
C 0.772671 -1.393865 -1.098626
C -0.610945 1.673459 0.660477
C -2.407027 0.343021 -1.204706
C 1.986268 0.095560 0.433032
C -2.486467 -3.774506 0.837171
C -1.440866 2.427134 -0.133497
C 2.000751 -1.721350 -1.705701
C -2.398649 1.820099 -1.134289
C 3.212138 -0.259726 -0.203004
C 3.227131 -1.149181 -1.286279
C -0.611770 4.526012 0.781604
C 5.645535 0.109281 -0.200959
H -0.606835 -2.039263 0.503878
H -1.490908 0.232328 2.637123
H -0.449427 -1.189645 2.384177
H -0.923293 -1.927881 -2.462835
H -0.215221 -3.300389 -1.544350
H -2.845478 -1.938654 2.546395
H -3.383884 -0.629376 1.453632
H 0.088810 2.127906 1.365795
H -3.120915 -0.116958 -1.895639
H -2.521127 -4.413233 -0.063131
H -3.341990 -4.048222 1.478245
H -1.539961 -4.005083 1.390973
H 2.009552 -2.460967 -2.514126
H 4.160660 -1.424388 -1.785381
H 3.007914 1.206578 1.668639
H 0.447362 4.295160 0.552493
H -0.822717 4.263452 1.837392
H -0.810970 5.594131 0.612748
H 5.677459 0.430126 -1.259547
H 5.900503 -0.965047 -0.126765
H 6.356801 0.703405 0.391021


