%chk=000006006.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006006

0 1
 O    5.260500       2.372700      0.5719000    
 O    3.410700      0.1935000       3.294900    
 O   -3.682200      0.9490000      -2.331000    
 O   -7.709500       2.662500      0.1695000    
 O   -5.976900       2.349700       1.601400    
 O   -8.062400      -2.986700      0.9009000    
 O   -8.314300      -2.373100      -1.268800    
 N    4.490800     -0.3413000       1.278600    
 N    5.416200      -2.231200     -0.5260000    
 N    1.495800     -0.6785000      0.9760000    
 N    6.793300     -0.5490000      -1.548500    
 N    6.982700       1.647100     -0.7325000    
 N   -4.582800      0.9145000     -0.1945000    
 N    8.413100      0.8342000      -2.413900    
 C    3.733400      -1.607000       1.112500    
 C    4.629900      -2.729000      0.5775000    
 C    2.501100      -1.382100      0.2284000    
 C    5.420400      1.3000000E-03  0.2847000    
 C    5.862700     -0.9252000     -0.6046000    
 C    5.879800       1.434700      7.9000004E-02
 C    4.219800      0.4359000       2.403600    
 C   0.2555000     -0.3199000      0.4621000    
 C    7.373600      0.6926000      -1.532500    
 C  -0.6593000      0.3645000       1.262300    
 C  -7.4100003E-02 -0.6430000     -0.8543000    
 C   -5.933200       1.260300     -0.5763000    
 C   -6.785700      3.1399999E-02 -0.9156000    
 C   -2.233500      0.4024000     -0.5700000    
 C   -1.903700      0.7256000      0.7462000    
 C   -1.318600     -0.2818000      -1.370300    
 C   -3.531000      0.7795000      -1.108100    
 C   -7.010600     -0.9630000      0.2306000    
 C   -6.514600       2.122400      0.5253000    
 C   -7.846800      -2.163100     -0.1582000    
 H    3.387800      -1.935200       2.102600    
 H    5.316500      -3.055800       1.367900    
 H    4.047300      -3.603700      0.2702000    
 H    2.100300      -2.355600     -7.9300001E-02
 H    2.773100     -0.8238000     -0.6753000    
 H    5.816200      -2.889500      -1.185900    
 H    1.678500     -0.4395000       1.944400    
 H    7.113700      -1.271600      -2.183500    
 H    4.871000       1.313300       2.498300    
 H   -5.864200       1.895600      -1.468400    
 H  -0.4119000      0.6287000       2.287400    
 H   0.6073000      -1.176000      -1.510800    
 H   -7.765600      0.3661000      -1.280400    
 H   -6.319200     -0.5031000      -1.753800    
 H   -2.573100       1.284800       1.393400    
 H   -1.558300     -0.5468000      -2.396900    
 H   -4.431900      0.6879000      0.7830000    
 H   -6.045200      -1.337200      0.5888000    
 H   -7.521400     -0.4583000       1.058000    
 H    8.698800      7.4400000E-02  -3.021900    
 H    8.924800       1.706900      -2.486500    
 H   -8.077600       3.233700      0.8771000    
 H   -8.619200      -3.756700      0.6573000    


%chk=000006006-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006006

0 1
O 5.771887 2.172985 1.634192
O 3.235765 -0.416287 3.363771
O -3.870796 -0.211045 -2.345239
O -7.464259 2.960286 -0.719551
O -5.783611 2.902159 0.880293
O -8.361227 -2.136441 1.631349
O -8.492100 -2.254278 -0.683359
N 4.568966 -0.531124 1.454371
N 5.606179 -2.094418 -0.711180
N 1.593369 -1.121119 1.031847
N 6.692276 -0.171253 -1.585073
N 6.670172 1.964346 -0.506800
N -4.486893 0.861415 -0.389931
N 7.713985 1.715426 -2.591617
C 3.943056 -1.850430 1.122060
C 5.019907 -2.749627 0.470203
C 2.679243 -1.700003 0.245133
C 5.486121 0.038849 0.507021
C 5.895909 -0.738627 -0.577065
C 5.977639 1.442318 0.612995
C 4.179110 0.068911 2.659707
C 0.348555 -0.817095 0.504747
C 7.003227 1.193247 -1.526924
C -0.643927 -0.206605 1.335483
C 0.007322 -1.101526 -0.854922
C -5.779058 1.249121 -0.961303
C -6.813724 0.081638 -1.000524
C -2.248748 -0.164192 -0.532248
C -1.909696 0.110195 0.824585
C -1.265393 -0.778746 -1.350113
C -3.568858 0.147874 -1.155821
C -7.115962 -0.492246 0.393713
C -6.300896 2.436366 -0.162187
C -8.040828 -1.690534 0.336731
H 3.640845 -2.291427 2.090257
H 5.815693 -2.949512 1.211035
H 4.582682 -3.715427 0.169493
H 2.395226 -2.707708 -0.135948
H 2.906322 -1.070505 -0.643347
H 5.390945 -2.466680 -1.638066
H 1.811717 -0.883760 2.009981
H 7.194314 -0.800052 -2.215359
H 4.737876 0.984017 2.908721
H -5.627116 1.566715 -2.012375
H -0.402813 0.014119 2.381942
H 0.736614 -1.574462 -1.520353
H -7.739090 0.446111 -1.479355
H -6.389952 -0.700557 -1.652167
H -2.634933 0.563577 1.511331
H -1.535922 -0.995227 -2.389290
H -4.228553 1.297293 0.498827
H -6.179491 -0.808904 0.893030
H -7.578392 0.257285 1.065239
H 7.770490 1.256522 -3.497349
H 7.973508 2.696764 -2.513064
H -7.779472 3.730348 -0.172998
H -8.959411 -2.929569 1.561473


