%chk=000173874.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173874

0 1
 O   -2.906900      0.4430000     -0.6531000    
 O    3.108900     -0.6375000     -0.2458000    
 O   -2.918600      -1.899000       2.681000    
 O   -3.064400      -1.366200      -2.088900    
 O    2.815400      -2.423300      -1.689500    
 O   0.7508000       4.355600       1.878300    
 O   0.3357000       2.423000       2.833400    
 N  -0.4675000      -2.584600       1.343600    
 N   0.5312000       3.122000       1.809700    
 C  -2.0199999E-02 -0.9501000     -0.9285000    
 C   -1.415500      -1.279600     -0.3886000    
 C    1.091600      -1.729100     -0.2184000    
 C   0.2373000      0.5253000     -0.8188000    
 C   -1.577700      -2.044500      0.7146000    
 C   0.8333000      -2.476700      0.8785000    
 C   -2.897400      -2.383800       1.353300    
 C   0.2619000       1.127900      0.4332000    
 C   -2.558100     -0.7640000      -1.160200    
 C    2.432800      -1.660800     -0.8213000    
 C   0.4500000       1.272600      -1.971100    
 C    1.857400      -3.238000       1.676200    
 C   0.5026000       2.498100      0.5346000    
 C   0.6906000       2.642800      -1.869700    
 C   0.7169000       3.255500     -0.6169000    
 C   -4.013100       1.077500      -1.303100    
 C    4.441000     -0.4412000     -0.7313000    
 C   -4.283100       2.407100     -0.6314000    
 C    5.065000      0.7282000       0.000000    
 H  -4.8000002E-03  -1.263600      -1.982400    
 H  -0.6258000      -3.150100       2.170100    
 H   -3.748000      -1.950400      0.8195000    
 H   -3.033300      -3.470900       1.372800    
 H   9.3900003E-02  0.5289000       1.324300    
 H   0.4326000      0.8086000      -2.953200    
 H    1.620300      -4.307300       1.673100    
 H    1.863000      -2.888700       2.714400    
 H    2.873000      -3.124400       1.286700    
 H   0.8577000       3.232300      -2.766500    
 H   0.9076000       4.324800     -0.5764000    
 H   -3.772300      -2.157200       3.068400    
 H   -4.898700      0.4368000      -1.225900    
 H   -3.771600       1.239000      -2.359700    
 H    4.410100     -0.2314000      -1.806400    
 H    5.031700      -1.346900     -0.5539000    
 H   -3.398700       3.050900     -0.6834000    
 H   -4.508900       2.263200      0.4303000    
 H   -5.123700       2.921500      -1.105200    
 H    6.085800      0.9082000     -0.3483000    
 H    4.473200       1.637000     -0.1521000    
 H    5.086800      0.5405000       1.078600    


%chk=000173874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173874

0 1
O -3.641172 -0.377771 -0.688443
O 3.521196 -1.742030 -0.294156
O -2.312250 -1.804529 3.000872
O -2.220665 0.264171 -2.428564
O 2.614581 -0.627540 -2.128235
O 0.343849 5.482549 1.791819
O -0.501711 3.565306 2.687114
N -0.245770 -1.308659 1.665081
N 0.061076 4.223227 1.725305
C 0.137666 -0.110505 -0.880874
C -1.250830 -0.460724 -0.338502
C 1.240850 -0.913775 -0.165723
C 0.419132 1.403358 -0.775355
C -1.383278 -0.970538 0.939246
C 1.037459 -1.400981 1.116041
C -2.682709 -1.248958 1.686447
C 0.108983 2.114811 0.405186
C -2.360669 -0.158858 -1.248635
C 2.475747 -1.061396 -0.947628
C 1.014232 2.102541 -1.857599
C 2.045756 -2.078225 2.019753
C 0.398248 3.493404 0.480235
C 1.295824 3.485154 -1.763487
C 0.991286 4.201125 -0.588517
C -4.789021 -0.066814 -1.591500
C 4.775538 -1.888496 -1.091511
C -6.065552 -0.337995 -0.800784
C 5.775502 -2.632544 -0.211438
H 0.169866 -0.362068 -1.955054
H -0.435646 -1.660443 2.612045
H -3.259825 -0.311418 1.791072
H -3.299701 -1.963003 1.111970
H -0.357388 1.625232 1.264132
H 1.262420 1.547559 -2.767398
H 2.352079 -3.054275 1.606508
H 1.621703 -2.237239 3.027348
H 2.965552 -1.479974 2.105620
H 1.751765 4.006139 -2.611684
H 1.193957 5.270101 -0.485260
H -3.092082 -1.812943 3.603310
H -4.706409 -0.702271 -2.491709
H -4.705475 0.987790 -1.910208
H 5.129223 -0.880666 -1.375195
H 4.537444 -2.438845 -2.019722
H -6.117811 0.300454 0.098307
H -6.121997 -1.394955 -0.486693
H -6.947068 -0.118574 -1.430315
H 6.726661 -2.765950 -0.758557
H 5.985586 -2.068625 0.713887
H 5.393649 -3.630329 0.066048


