%chk=000047734.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047734

0 1
 O    1.705100       2.101800     -0.5110000    
 O  -0.6426000       3.008900      -1.465900    
 O    4.933200     -0.9670000      -2.210900    
 O    4.116900     -0.6982000       2.501000    
 O    5.477300      -1.823600      0.3665000    
 N   -5.049100      8.2000002E-02  0.3354000    
 N   -5.727800      -2.664000     -0.2624000    
 N   -1.681100       2.814100      0.6075000    
 C   -4.449200     -0.6201000     -0.8057000    
 C   -5.387700     -0.8689000       1.401300    
 C   -5.387300      -1.713600      -1.328200    
 C   -6.327000      -1.961500      0.8790000    
 C   -4.152700       1.123100      0.8339000    
 C   -3.899200       2.168100     -0.2540000    
 C   -6.625800      -3.703700     -0.7614000    
 C   -2.981000       3.290400      0.2215000    
 C  -0.6114000       2.712000     -0.2747000    
 C   0.6335000       2.182100      0.4045000    
 C    2.645600       1.123100     -0.2922000    
 C    2.907300      0.7043000       1.005000    
 C    3.319000      0.5687000      -1.371700    
 C    4.273200     -0.4244000      -1.149700    
 C    3.861600     -0.2886000       1.227100    
 C    4.544600     -0.8530000      0.1496000    
 C    4.346400      -2.114800      -2.820900    
 C    3.337400      -1.782400       3.001700    
 C    6.820900      -1.394600      0.5746000    
 H   -3.479400      -1.059300     -0.5355000    
 H   -4.288400      4.5400001E-02  -1.657900    
 H   -5.893500     -0.3438000       2.220600    
 H   -4.481700      -1.329500       1.818300    
 H   -6.293300      -1.254500      -1.747000    
 H   -4.881300      -2.241400      -2.145800    
 H   -6.516100      -2.671500       1.693200    
 H   -7.292600      -1.516700      0.6024000    
 H   -3.207300      0.6871000       1.180400    
 H   -4.613800       1.624600       1.694100    
 H   -4.850900       2.603200     -0.5831000    
 H   -3.415100       1.733800      -1.133600    
 H   -6.156000      -4.255000      -1.583600    
 H   -7.576800      -3.293800      -1.120100    
 H   -6.840600      -4.435700      2.5100000E-02
 H   -3.415000       3.796300       1.090600    
 H   -2.866400       4.033600     -0.5754000    
 H   -1.547600       2.538500       1.576200    
 H   0.3621000       1.197700      0.8091000    
 H   0.8997000       2.862900       1.221100    
 H    2.413400       1.143200       1.867000    
 H    3.105300      0.9057000      -2.382500    
 H    3.358800      -1.871300      -3.225300    
 H    4.992400      -2.433600      -3.643500    
 H    4.265900      -2.935500      -2.101000    
 H    2.276200      -1.514700       3.021100    
 H    3.663200      -1.995500       4.023500    
 H    3.487700      -2.679200       2.392400    
 H    6.889000     -0.7569000       1.461600    
 H    7.442400      -2.280200      0.7329000    
 H    7.194500     -0.8579000     -0.3031000    


%chk=000047734-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047734

0 1
O 0.928449 -0.168628 -1.426162
O -1.398134 -1.444611 -3.917339
O 4.089375 1.480750 1.778322
O 4.957631 -2.786289 -0.593386
O 5.808019 -0.806319 1.363011
N -5.128828 0.433963 0.044464
N -6.682604 -0.665816 2.239364
N -1.393256 0.418785 -2.498995
C -5.167287 -1.027851 0.307434
C -5.309093 1.179054 1.317176
C -6.494771 -1.418907 0.976757
C -6.640410 0.792484 1.981435
C -3.909863 0.863246 -0.684462
C -3.898497 0.403314 -2.156163
C -7.899514 -1.075752 2.964063
C -2.691099 0.947814 -2.955323
C -0.858170 -0.735054 -3.012609
C 0.495292 -1.155824 -2.425438
C 2.168861 -0.375614 -0.790425
C 3.007161 -1.480916 -1.052785
C 2.553057 0.624908 0.131292
C 3.775280 0.497204 0.815300
C 4.229741 -1.609419 -0.349255
C 4.616614 -0.636642 0.610959
C 5.365967 2.201309 1.560633
C 6.400189 -2.642398 -0.896442
C 5.554683 -1.202832 2.771383
H -4.321322 -1.340131 0.971688
H -5.073357 -1.574105 -0.647366
H -5.310286 2.263008 1.095146
H -4.477661 0.971548 2.038174
H -7.329935 -1.225853 0.255029
H -6.484850 -2.500879 1.207688
H -6.740449 1.326649 2.945329
H -7.481419 1.116567 1.315428
H -2.977540 0.508047 -0.171047
H -3.886823 1.972001 -0.662699
H -4.831623 0.753059 -2.638013
H -3.887317 -0.699201 -2.232246
H -7.854503 -2.157603 3.184837
H -8.843755 -0.878568 2.394246
H -7.961243 -0.533498 3.925015
H -2.654545 2.052538 -2.895529
H -2.804364 0.662220 -4.015997
H -0.858481 0.889383 -1.764229
H 1.228135 -1.224474 -3.252781
H 0.384403 -2.156510 -1.964108
H 2.754147 -2.263346 -1.771712
H 1.915991 1.492811 0.316290
H 5.316163 2.780780 0.619211
H 5.460403 2.886264 2.416903
H 6.215672 1.497492 1.527804
H 6.532539 -2.077435 -1.839163
H 6.766324 -3.672422 -1.023498
H 6.927447 -2.135311 -0.072352
H 5.027354 -2.173977 2.804177
H 6.548240 -1.295108 3.236649
H 4.958763 -0.427701 3.286418


