%chk=000151917.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151917

0 1
 O    3.547600       1.078100      -1.512300    
 O    1.936900     -0.6746000       1.665600    
 O  -0.2171000      8.2300000E-02  -1.245700    
 O   -4.336000     -5.9999999E-02 -0.2993000    
 O   -2.805300       1.174000      -1.486400    
 N    4.745200       3.286600     -0.8436000    
 N    4.270200     -0.1128000      0.3537000    
 N    1.276000      -1.906700     -0.1885000    
 N   -2.182900     -0.7157000     -0.2767000    
 C    4.929100       2.174500      8.9000002E-02
 C    4.378700       2.652600       1.429500    
 C    3.913600       4.078100       1.172000    
 C    4.725100       4.501000     -3.4299999E-02
 C    3.617900      -1.362100      5.8699999E-02
 C    4.178800       1.006100     -0.4612000    
 C    4.360300      -2.561400      0.6619000    
 C    5.821200      -2.720100      0.1934000    
 C    2.205000      -1.276100      0.6275000    
 C    6.525400      -3.897000      0.8699000    
 C    5.859000      -2.901000      -1.326700    
 C  -0.1411000      -1.929000      9.3900003E-02
 C  -0.8131000     -0.7326000     -0.5463000    
 C   -3.081400      0.2260000     -0.7587000    
 C   -5.373200      0.8333000     -0.7197000    
 C   -6.677500      0.3807000     -0.1321000    
 C   -7.482600     -0.5187000     -0.8314000    
 C   -7.085000      0.8587000       1.113400    
 C   -8.695000     -0.9399000     -0.2852000    
 C   -8.297400      0.4374000       1.659400    
 C   -9.102400     -0.4618000      0.9601000    
 H    5.991300       1.915700      0.1682000    
 H    3.557100       2.048600       1.828300    
 H    5.182900       2.661200       2.175100    
 H    4.075000       4.729100       2.036000    
 H    2.842600       4.084200      0.9344000    
 H    5.745000       4.782900      0.2509000    
 H    4.270900       5.340700     -0.5681000    
 H    3.835300       3.204100      -1.300100    
 H    3.547200      -1.460300      -1.030100    
 H    4.357300      -2.470900       1.757000    
 H    3.801900      -3.480400      0.4381000    
 H    6.383100      -1.812900      0.4469000    
 H    4.776300     -3.9099999E-02   1.231900    
 H    6.026800      -4.844100      0.6372000    
 H    7.567500      -3.971100      0.5417000    
 H    6.524700      -3.772600       1.957800    
 H    6.879500      -3.113600      -1.664200    
 H    5.537100      -1.995900      -1.850200    
 H    5.221100      -3.731800      -1.647100    
 H    1.590300      -2.370000      -1.036000    
 H  -0.3046000      -1.907500       1.175900    
 H  -0.5551000      -2.850800     -0.3253000    
 H   -2.565900      -1.448300      0.3150000    
 H   -5.434000      0.8408000      -1.815100    
 H   -5.141600       1.852600     -0.3862000    
 H   -7.175000     -0.9000000      -1.801500    
 H   -6.465600       1.558000       1.668800    
 H   -9.321600      -1.640600     -0.8293000    
 H   -8.614500      0.8090000       2.629500    
 H   -10.04630     -0.7900000       1.385500    


%chk=000151917-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151917

0 1
O 3.574378 0.516009 -1.676987
O 1.439675 -3.067414 0.211073
O 0.072005 0.618776 -0.464911
O -4.095400 0.369026 -1.514955
O -2.625838 1.814484 -0.366429
N 4.252310 2.980938 -0.592715
N 3.764335 -0.577722 0.357089
N 1.577070 -1.500996 -1.517134
N -1.921802 -0.213776 -1.406450
C 3.892361 1.892699 0.351746
C 2.540635 2.322402 1.062302
C 2.017696 3.492571 0.190868
C 3.329642 4.126955 -0.341017
C 3.618253 -1.935271 -0.221424
C 3.736823 0.565118 -0.406029
C 4.257237 -2.997783 0.689669
C 5.776534 -2.816475 0.947101
C 2.111150 -2.237123 -0.472806
C 6.264118 -3.894487 1.944494
C 6.603362 -2.865644 -0.359926
C 0.145593 -1.491403 -1.753792
C -0.537809 -0.246803 -1.129106
C -2.846621 0.774994 -1.013973
C -5.260876 1.258168 -1.153240
C -5.910515 0.817566 0.138784
C -6.988465 -0.103692 0.121700
C -5.446244 1.319148 1.382864
C -7.592357 -0.523193 1.327756
C -6.048995 0.899337 2.588934
C -7.122612 -0.021873 2.564256
H 4.681559 1.758418 1.120569
H 1.808526 1.500434 1.117961
H 2.763777 2.669689 2.088021
H 1.395675 4.198375 0.769069
H 1.409170 3.095458 -0.640706
H 3.766077 4.798997 0.424270
H 3.194637 4.713764 -1.266646
H 4.168417 2.624911 -1.558774
H 4.121187 -1.906097 -1.206298
H 3.706533 -3.020952 1.650994
H 4.080532 -3.987079 0.225829
H 5.941475 -1.821811 1.413895
H 3.818987 -0.495622 1.375133
H 6.134368 -4.908432 1.519256
H 7.336088 -3.762356 2.180329
H 5.697832 -3.853248 2.893921
H 7.684410 -2.790514 -0.141132
H 6.348096 -2.037708 -1.046079
H 6.433136 -3.820264 -0.895016
H 2.178161 -0.762870 -1.927599
H -0.274956 -2.403737 -1.286918
H -0.074361 -1.520802 -2.838674
H -2.330238 -0.991727 -1.933240
H -5.931950 1.139564 -2.017894
H -4.882161 2.292910 -1.093945
H -7.352995 -0.492965 -0.837087
H -4.607841 2.024800 1.397002
H -8.425927 -1.233832 1.304969
H -5.684289 1.290166 3.545182
H -7.590865 -0.345108 3.500768


