%chk=000055232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055232

0 1
 O   -3.175900       1.226100     -0.1754000    
 O   -2.643400      -2.289000      -2.169900    
 N   0.2639000       1.531600     -0.5063000    
 N    2.863900      0.4246000     -8.9299999E-02
 C    1.150300       2.084100      0.5251000    
 C    1.058900       1.054600      -1.644800    
 C    2.133300       1.025400       1.030800    
 C    2.037600     -3.9000001E-02  -1.211100    
 C  -0.7049000       2.536500     -0.9425000    
 C   -1.582800       2.968600      0.2277000    
 C    4.080000     -0.2269000      0.1449000    
 C   -2.338300       1.789000      0.8248000    
 C    4.334200     -0.8690000       1.373300    
 C    5.086700     -0.2613000     -0.8406000    
 C    5.546000      -1.519200       1.606700    
 C    6.298400     -0.9116000     -0.6073000    
 C    6.528100      -1.540600      0.6164000    
 C   -3.922400      0.1345000      0.1854000    
 C   -3.765900      -1.079900     -0.4741000    
 C   -4.839100      0.2626000       1.223800    
 C   -4.534900      -2.178900     -9.1200002E-02
 C   -5.608000     -0.8364000       1.606900    
 C   -5.455900      -2.057100      0.9494000    
 C   -2.810100      -1.228800      -1.562700    
 H    1.707200       2.948100      0.1379000    
 H   0.6032000       2.415300       1.411700    
 H   0.3988000      0.6363000      -2.414400    
 H    1.614300       1.883100      -2.104800    
 H    1.587600      0.2471000       1.579800    
 H    2.827000       1.510200       1.729100    
 H    1.487400     -0.9386000     -0.9058000    
 H    2.649100     -0.3129000      -2.078500    
 H   -1.337300       2.127600      -1.740100    
 H  -0.2019000       3.418000      -1.361300    
 H   -2.318200       3.680700     -0.1706000    
 H   -1.035400       3.517000      0.9995000    
 H   -2.944000       2.168200       1.655800    
 H   -1.659200       1.026900       1.224300    
 H    3.588200     -0.8847000       2.163800    
 H    4.935300      0.2330000      -1.797700    
 H    5.724200      -2.011500       2.558300    
 H    7.064300     -0.9259000      -1.377100    
 H    7.471600      -2.046900      0.7981000    
 H   -4.986200       1.209000       1.735500    
 H   -4.435300      -3.140600     -0.5877000    
 H   -6.328300     -0.7407000       2.414100    
 H   -6.055500      -2.912300       1.247000    
 H   -2.219600     -0.3416000      -1.842800    


%chk=000055232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055232

0 1
O -3.212811 1.122753 -0.265746
O -5.362131 -0.427226 -3.371878
N 0.444263 1.583846 -0.338472
N 3.066876 0.422318 0.107196
C 1.513778 2.348225 0.345580
C 1.055267 0.677310 -1.341478
C 2.510735 1.409547 1.050890
C 2.018620 -0.300743 -0.651224
C -0.620470 2.448164 -0.906784
C -1.638917 2.904828 0.162172
C 4.287305 -0.230437 0.423098
C -2.374665 1.725952 0.798983
C 4.969574 0.007736 1.656099
C 4.901891 -1.125339 -0.507041
C 6.209866 -0.607878 1.930193
C 6.134382 -1.741357 -0.216929
C 6.806869 -1.489402 1.002652
C -3.940310 -0.030600 0.029488
C -4.707489 -0.590212 -1.042591
C -3.951123 -0.648003 1.306524
C -5.469970 -1.764354 -0.805033
C -4.719831 -1.813677 1.511122
C -5.482927 -2.379554 0.460057
C -4.714732 0.033768 -2.387421
H 2.075180 2.986842 -0.383504
H 1.063707 3.015521 1.103070
H 0.252420 0.101877 -1.837283
H 1.613873 1.247368 -2.126260
H 2.000997 0.910239 1.908680
H 3.331585 2.028850 1.451883
H 1.430636 -0.953307 0.034456
H 2.481517 -0.944572 -1.414138
H -1.164315 1.862877 -1.670399
H -0.195875 3.345054 -1.421488
H -2.372420 3.591133 -0.301797
H -1.131417 3.470662 0.967682
H -3.029151 2.053922 1.630883
H -1.641920 0.976795 1.156885
H 4.529773 0.655402 2.419924
H 4.433445 -1.322595 -1.476299
H 6.704196 -0.403221 2.887352
H 6.578780 -2.416315 -0.957885
H 7.766500 -1.968542 1.222168
H -3.370525 -0.233253 2.134546
H -6.044547 -2.166469 -1.647188
H -4.721466 -2.283265 2.501394
H -6.074561 -3.283890 0.633152
H -4.103461 0.957919 -2.491186


