%chk=000086924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086924

0 1
 O   -5.951400     -0.5676000     -1.9099999E-02
 O    5.846000     -0.4750000      0.2575000    
 O   0.1226000      -2.230600     -0.5671000    
 N  -0.3747000      -1.138200     -0.1247000    
 N   0.2980000     -0.1322000      0.2957000    
 C   -7.804600      0.9447000     -0.2055000    
 C    7.908700      0.7304000      9.7999997E-02
 C   -8.410000       2.265600      0.2609000    
 C    8.708200       1.766600     -0.6870000    
 C   -6.468800      0.6690000      0.4699000    
 C    6.542500      0.4841000     -0.5262000    
 C   -9.722700       2.558000     -0.4480000    
 C    10.05430       2.041400     -3.6100000E-02
 C   -4.597700     -0.7056000     -4.5299999E-02
 C    4.477900     -0.3904000      0.2667000    
 C   -1.823100     -0.9905000     -9.6900001E-02
 C   -3.810600     -3.8699999E-02  0.8936000    
 C   -3.997600      -1.514900      -1.009900    
 C   -2.423400     -0.1812000      0.8677000    
 C   -2.610300      -1.657400      -1.035800    
 C    3.802000      0.1061000     -0.8479000    
 C    3.761600     -0.8012000       1.391000    
 C    1.693600     -0.2189000      0.2859000    
 C    2.409900      0.1919000     -0.8383000    
 C    2.369500     -0.7154000       1.400500    
 H   -7.664000      0.9553000      -1.293800    
 H   -8.494600      0.1166000     -1.0000000E-03
 H    7.777800       1.059900       1.136600    
 H    8.461500     -0.2158000      0.1516000    
 H   -7.709600       3.086400      6.7900002E-02
 H   -8.582900       2.234200       1.343000    
 H    8.144100       2.704500     -0.7501000    
 H    8.868000       1.414400      -1.712700    
 H   -5.795900       1.505400      0.2400000    
 H   -6.603100      0.5958000       1.555300    
 H    6.659000      9.8700002E-02  -1.545700    
 H    6.010400       1.443800     -0.5580000    
 H   -9.576600       2.629900      -1.530500    
 H   -10.13940       3.507500     -9.7599998E-02
 H   -10.45800       1.771200     -0.2517000    
 H    9.927200       2.428600      0.9799000    
 H    10.61080       2.784700     -0.6156000    
 H    10.65800       1.129800      1.6200000E-02
 H   -4.239500      0.5761000       1.679200    
 H   -4.605800      -2.035500      -1.744600    
 H   -1.834900      0.3358000       1.621100    
 H   -2.162400      -2.286900      -1.799900    
 H    4.319400      0.4104000      -1.752800    
 H    4.282900      -1.188500       2.262100    
 H    1.891100      0.5747000      -1.713300    
 H    1.819900      -1.037300       2.281300    


%chk=000086924-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086924

0 1
O -6.005175 0.275943 -0.974744
O 5.877160 0.686443 0.927598
O 0.193250 -0.176613 -2.262177
N -0.334421 0.165325 -1.092193
N 0.317060 0.475990 0.018932
C -8.244905 0.564854 -0.103088
C 8.263262 0.559306 0.545219
C -9.140073 0.940378 1.101251
C 9.415598 0.275688 -0.447068
C -6.757276 0.647073 0.242723
C 6.890303 0.390046 -0.107396
C -10.643782 0.858557 0.761546
C 10.804454 0.440354 0.206547
C -4.609319 0.274099 -0.912186
C 4.528119 0.598188 0.574530
C -1.797036 0.208974 -1.004122
C -3.854759 0.601904 0.246174
C -3.944517 -0.086333 -2.113122
C -2.447762 0.568219 0.196696
C -2.542677 -0.119468 -2.161986
C 4.050517 0.239832 -0.712243
C 3.604966 0.897669 1.613282
C 1.726070 0.476436 0.067319
C 2.666373 0.176890 -0.969621
C 2.232460 0.836871 1.359497
H -8.454442 1.240700 -0.954129
H -8.479924 -0.462215 -0.441877
H 8.350187 1.590000 0.939145
H 8.336098 -0.124118 1.412814
H -8.893483 1.967151 1.440580
H -8.917033 0.266189 1.953333
H 9.332915 0.959315 -1.316546
H 9.315417 -0.753959 -0.847082
H -6.475577 1.675749 0.550571
H -6.498944 -0.054116 1.063567
H 6.748256 -0.647238 -0.475828
H 6.762969 1.090986 -0.958461
H -10.901658 1.547869 -0.064034
H -11.268422 1.125519 1.633181
H -10.922925 -0.163702 0.444728
H 10.943550 1.469461 0.587237
H 11.615916 0.233207 -0.514443
H 10.924333 -0.252418 1.060373
H -4.347696 0.881441 1.181210
H -4.548094 -0.334544 -2.990934
H -1.845114 0.815925 1.072924
H -2.006409 -0.392736 -3.073606
H 4.745846 0.007103 -1.524155
H 3.993282 1.172113 2.598412
H 2.300061 -0.099167 -1.957891
H 1.506305 1.064560 2.146041


