%chk=000117268.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117268

0 1
 O   2.4499999E-02 -0.7734000      0.1291000    
 O   -2.393500      -3.276000      0.5298000    
 O    1.469700      -1.046700      -1.634700    
 N    2.239400     -0.6306000      0.5146000    
 N    3.573100     -0.6542000      0.1459000    
 C   -2.433000     -0.8784000     -1.0000000E-03
 C   -2.611200      0.4922000      0.7158000    
 C   -1.079100     -0.9691000     -0.7455000    
 C   -2.536400       1.732900     -0.1831000    
 C   -2.529800      -1.976600       1.090900    
 C   -3.559300      -1.103300      -1.030800    
 C   -2.663900       3.016300      0.6416000    
 C   -2.627500       4.252800     -0.2425000    
 C    1.269400     -0.8363000     -0.4423000    
 C    4.210300      0.6139000      0.4734000    
 C    3.939000       1.640800     -0.6225000    
 C    5.708300      0.3959000      0.6613000    
 H   -3.579400      0.4996000       1.235000    
 H   -1.847800      0.5860000       1.499900    
 H  -0.9812000      -1.956800      -1.214700    
 H   -1.035900     -0.2261000      -1.550800    
 H   -3.337000       1.705400     -0.9300000    
 H   -1.583500       1.757800     -0.7218000    
 H   -3.499300      -1.930500       1.600000    
 H   -1.745000      -1.849400       1.844900    
 H   -3.492400      -2.095300      -1.491400    
 H   -4.545100      -1.021200     -0.5597000    
 H   -3.514900     -0.3718000      -1.844300    
 H   -3.604800       3.005800       1.203900    
 H   -1.848900       3.071900       1.372600    
 H   -1.685500       4.310700     -0.7971000    
 H   -3.451100       4.244200     -0.9635000    
 H   -2.719100       5.157300      0.3670000    
 H   -2.465200      -3.912000       1.261700    
 H    3.826900       1.004600       1.425900    
 H    2.001500     -0.4812000       1.489900    
 H    3.998300      -1.406500      0.6874000    
 H    4.308500       1.296600      -1.595200    
 H    2.867900       1.848400     -0.7212000    
 H    4.436800       2.589400     -0.3934000    
 H    6.175100      3.5999999E-03 -0.2493000    
 H    5.906800     -0.3104000       1.475300    
 H    6.207500       1.337900      0.9134000    


%chk=000117268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117268

0 1
O -0.007286 -0.872218 0.150638
O -2.525138 -3.320486 0.447395
O 1.498673 -1.047151 -1.659866
N 2.200775 -0.745043 0.590590
N 3.575431 -0.647071 0.329418
C -2.456657 -0.912183 -0.007435
C -2.523463 0.477368 0.699560
C -1.139304 -1.096103 -0.789490
C -2.440752 1.715002 -0.222548
C -2.552209 -1.996397 1.094313
C -3.625549 -1.096791 -1.010482
C -2.516488 3.040944 0.570208
C -2.449676 4.287675 -0.338069
C 1.277758 -0.901355 -0.439194
C 4.206299 0.669575 0.623877
C 3.645461 1.748589 -0.321727
C 5.729265 0.496410 0.461640
H -3.474690 0.525949 1.271503
H -1.700964 0.536129 1.440502
H -1.067947 -2.122557 -1.188197
H -1.051973 -0.379676 -1.625266
H -3.263184 1.695011 -0.965119
H -1.493140 1.698272 -0.797123
H -3.502593 -1.861082 1.655009
H -1.696832 -1.883118 1.791800
H -3.650845 -2.133765 -1.385949
H -4.592409 -0.889053 -0.514563
H -3.532990 -0.412403 -1.872670
H -3.456132 3.060503 1.159960
H -1.687072 3.072069 1.306279
H -1.507866 4.304918 -0.918455
H -3.287363 4.295986 -1.060830
H -2.501750 5.222383 0.250208
H -2.405579 -4.021425 1.133766
H 3.995701 0.980879 1.679240
H 1.822021 -0.598087 1.535268
H 4.096537 -1.454226 0.695950
H 3.867981 1.482501 -1.369561
H 2.549344 1.837057 -0.218438
H 4.093055 2.732795 -0.091984
H 5.964954 0.177442 -0.569240
H 6.133087 -0.259813 1.162805
H 6.246707 1.450741 0.660779


