%chk=000114006.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114006

0 1
 O   -5.413500     -5.9900001E-02 -0.1860000    
 N   0.9313000      0.8771000      0.3693000    
 N   -2.583500     -0.2982000      3.1999999E-03
 C  -0.4270000      0.5626000      0.7877000    
 C   -1.223800      4.8799999E-02 -0.4047000    
 C    1.174400       2.185100     -0.2374000    
 C    2.620300       2.611500     -3.2000002E-02
 C    1.901100     -0.1195000      0.2455000    
 C    3.552300       1.589800     -0.6676000    
 C    3.196000      0.1865000     -0.2402000    
 C   -3.291500      0.8825000      0.5169000    
 C   -3.330800     -0.8851000      -1.117800    
 C   -4.710800      0.4981000      0.9249000    
 C   -4.749700      -1.227200     -0.6720000    
 C    1.657100      -1.457400      0.6131000    
 C    4.170700     -0.8173000     -0.3772000    
 C    2.635700      -2.448400      0.4864000    
 C    3.891500      -2.129200     -1.2000000E-02
 H  -0.4485000     -0.1338000       1.634100    
 H  -0.8529000       1.491100       1.180600    
 H   -1.234300      0.7987000      -1.207200    
 H  -0.7364000     -0.8416000     -0.8193000    
 H   0.5189000       2.942600      0.2078000    
 H   0.9388000       2.143500      -1.308200    
 H    2.832500       2.692300       1.042000    
 H    2.792600       3.599500     -0.4730000    
 H    4.584600       1.823900     -0.3822000    
 H    3.483300       1.648500      -1.760800    
 H   -3.328800       1.671200     -0.2456000    
 H   -2.824100       1.291000       1.416400    
 H   -2.838600      -1.800100      -1.466800    
 H   -3.372900     -0.1795000      -1.957800    
 H   -4.714100     -0.2171000       1.756600    
 H   -5.259300       1.387600       1.251400    
 H   -5.325600      -1.607900      -1.521600    
 H   -4.754200      -2.001200      0.1051000    
 H   0.6955000      -1.778300       1.003500    
 H    5.155700     -0.5743000     -0.7685000    
 H    2.410100      -3.470900      0.7756000    
 H    4.650400      -2.898500     -0.1158000    


%chk=000114006-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114006

0 1
O -5.536502 -0.364595 -0.133170
N 1.002491 0.955866 0.376990
N -2.635402 -0.160452 -0.013033
C -0.392956 0.692250 0.753253
C -1.273037 0.230693 -0.441223
C 1.334684 2.322465 -0.074132
C 2.829081 2.629008 0.133338
C 1.920007 -0.098265 0.185555
C 3.676586 1.593422 -0.632886
C 3.249032 0.169806 -0.292746
C -3.507169 1.001600 0.303957
C -3.311655 -1.047799 -0.996954
C -4.865006 0.514821 0.837579
C -4.665911 -1.513070 -0.438715
C 1.568204 -1.452649 0.478698
C 4.159636 -0.897526 -0.439407
C 2.499292 -2.498450 0.316951
C 3.807404 -2.234403 -0.145505
H -0.447580 -0.077417 1.544406
H -0.803428 1.622327 1.188944
H -1.290493 1.033897 -1.221354
H -0.791769 -0.652863 -0.899539
H 0.715537 3.032219 0.507134
H 1.078359 2.468284 -1.148945
H 3.062065 2.586984 1.213814
H 3.046419 3.653172 -0.222748
H 4.750574 1.726791 -0.405046
H 3.564359 1.771999 -1.723017
H -3.674481 1.638364 -0.602332
H -3.024068 1.628922 1.075540
H -2.668632 -1.927947 -1.186320
H -3.481632 -0.526524 -1.972745
H -4.711669 -0.030575 1.793797
H -5.555706 1.359318 0.997295
H -5.218847 -2.113165 -1.180163
H -4.501599 -2.112933 0.482443
H 0.564999 -1.698938 0.838656
H 5.173682 -0.669300 -0.793667
H 2.194460 -3.524636 0.553950
H 4.533168 -3.044201 -0.272253


