%chk=000117592.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117592

0 1
 O   -1.326100      0.7653000     -0.1175000    
 O    1.973000     -0.3511000      0.2830000    
 O   -2.037700       2.274300       1.460900    
 O    3.370600     -0.2640000      -1.537300    
 N   -2.280500       2.687100     -0.8090000    
 N    3.969700      0.6730000      0.4985000    
 C  -0.2566000      -1.399800      0.3400000    
 C   -1.257000      -2.166000     -0.5757000    
 C  -0.8811000     -0.1050000      0.9135000    
 C    1.011100      -1.057700     -0.4880000    
 C   0.1893000      -2.285500       1.520400    
 C   -2.572100      -2.589900      8.9199997E-02
 C   -3.494400      -3.280000     -0.9063000    
 C   -1.896900       1.944600      0.2878000    
 C    3.131700     -3.1000001E-03 -0.3628000    
 C   -2.913900       3.982500     -0.7190000    
 C    5.271000       1.175400      0.1222000    
 H   -1.490600      -1.542900      -1.449200    
 H  -0.7618000      -3.063900     -0.9698000    
 H  -0.1419000      0.4261000       1.527300    
 H   -1.725700     -0.3472000       1.569600    
 H    1.467100      -1.983600     -0.8623000    
 H   0.7323000     -0.4451000      -1.354900    
 H  -0.6490000      -2.527800       2.181800    
 H   0.6188000      -3.229000       1.165700    
 H   0.9443000      -1.787700       2.139100    
 H   -3.098300      -1.720100      0.4945000    
 H   -2.378100      -3.276300      0.9196000    
 H   -4.426100      -3.578400     -0.4155000    
 H   -3.746600      -2.612100      -1.736100    
 H   -3.024500      -4.178900      -1.318200    
 H   -2.108200       2.301600      -1.732400    
 H    3.654600      0.8265000       1.451500    
 H   -3.885900       3.921800      -1.214400    
 H   -2.285500       4.706400      -1.243200    
 H   -3.045800       4.289700      0.3210000    
 H    6.016700      0.7107000      0.7717000    
 H    5.277700       2.256600      0.2800000    
 H    5.497400      0.9513000     -0.9227000    


%chk=000117592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117592

0 1
O -0.943004 0.524703 -0.115823
O 1.898669 -0.706288 0.109968
O -1.828955 2.241233 1.247952
O 1.762198 1.011308 -1.527033
N -0.733656 2.661317 -0.805747
N 3.214947 1.121801 0.314149
C -0.356043 -1.767446 0.398181
C -1.463102 -2.432765 -0.482814
C -0.853833 -0.433711 1.002330
C 0.833924 -1.495943 -0.561842
C 0.094238 -2.688143 1.560328
C -2.687467 -3.002190 0.270169
C -3.743959 -3.568722 -0.704390
C -1.224288 1.872721 0.206583
C 2.247918 0.531278 -0.465909
C -0.947457 4.108063 -0.837079
C 3.809258 2.418007 -0.018770
H -1.814080 -1.680786 -1.217864
H -0.999711 -3.256259 -1.067663
H -0.134420 -0.047731 1.748976
H -1.839486 -0.542581 1.488946
H 1.308818 -2.449470 -0.855330
H 0.502465 -0.939889 -1.454349
H -0.687554 -2.779941 2.335939
H 0.320329 -3.704708 1.187882
H 1.005674 -2.286748 2.038786
H -3.155156 -2.210831 0.888343
H -2.369106 -3.801731 0.966956
H -4.613807 -3.980452 -0.160609
H -4.113084 -2.781732 -1.388214
H -3.317455 -4.379678 -1.324839
H -0.088104 2.205783 -1.461390
H 3.514141 0.614585 1.147225
H -1.446150 4.418600 -1.774080
H 0.007614 4.659901 -0.746272
H -1.590559 4.380576 0.015257
H 4.906266 2.337162 -0.130461
H 3.582834 3.176912 0.753220
H 3.382145 2.751597 -0.977713


