%chk=000095283.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095283

0 1
 O   -2.964700       1.957200      4.5000002E-02
 O    2.942100      -1.930500      4.6500001E-02
 O   -5.102800       1.943300      -2.056800    
 O   -4.866800      -3.245200       1.490000    
 O    4.976000      -1.963000      -2.067300    
 O    5.040700       3.249100       1.446300    
 N   -4.399800      0.1365000      6.9499999E-02
 N    4.384400     -0.1143000      5.7100002E-02
 C  -0.5852000      0.4921000      8.1500001E-02
 C   0.5874000     -0.4933000      0.1018000    
 C   -1.942900     -0.2148000      8.4600002E-02
 C    1.929200      0.2421000      9.6199997E-02
 C   -3.135200      0.7356000      6.7400001E-02
 C    3.118300     -0.7094000      6.4199999E-02
 C   -5.632200      0.9143000      4.5400001E-02
 C   -4.579000      -1.313100      9.6199997E-02
 C    5.573700     -0.9567000      2.7600000E-02
 C    4.642200       1.323900      7.0500001E-02
 C   -6.093400       1.184700      -1.375200    
 C   -4.657900      -1.839300       1.517700    
 C    6.010000      -1.255900      -1.395100    
 C    4.755800       1.856800       1.487000    
 H  -0.5195000       1.156100      0.9526000    
 H  -0.5108000       1.132900     -0.8062000    
 H   0.5231000      -1.156000     -0.7701000    
 H   0.5190000      -1.131200      0.9916000    
 H   -2.002900     -0.8517000      0.9711000    
 H   -1.990300     -0.8441000     -0.8106000    
 H    1.973400      0.8785000     -0.7943000    
 H    1.999400      0.8738000      0.9865000    
 H   -5.433500       1.870500      0.5433000    
 H   -6.407900      0.3949000      0.6178000    
 H   -3.779700      -1.826800     -0.4441000    
 H   -5.494100      -1.572200     -0.4510000    
 H    5.342100      -1.899400      0.5371000    
 H    6.380300     -0.4710000      0.5872000    
 H    3.847300       1.859600     -0.4566000    
 H    5.557700       1.537300     -0.4946000    
 H   -6.255600      0.2534000      -1.926900    
 H   -7.024900       1.758900      -1.368000    
 H   -3.743200      -1.636200       2.081200    
 H   -5.493300      -1.380800       2.057200    
 H    6.217500     -0.3365000      -1.951400    
 H    6.910100      -1.878300      -1.392200    
 H    3.829900       1.708400       2.050000    
 H    5.565400       1.357300       2.029300    
 H   -5.434400       2.101600      -2.957100    
 H   -4.919400      -3.544200       2.413800    
 H    5.292500      -2.141600      -2.969200    
 H    5.110700       3.553100       2.367400    


%chk=000095283-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095283

0 1
O -2.936287 2.015002 -0.222291
O 2.936930 -2.027922 -0.223434
O -5.613668 0.833603 -2.555564
O -5.254816 -2.876107 1.908340
O 5.598648 -0.866154 -2.588391
O 5.268210 2.887016 1.836845
N -4.418141 0.233810 0.023021
N 4.420286 -0.244042 -0.008121
C -0.586694 0.494294 -0.018653
C 0.588690 -0.505277 -0.017152
C -1.951275 -0.221763 -0.011662
C 1.953191 0.210881 -0.029246
C -3.126749 0.767395 -0.075404
C 3.128304 -0.778784 -0.091258
C -5.567235 1.145159 -0.153485
C -4.693227 -1.185043 0.302942
C 5.568152 -1.157133 -0.183506
C 4.697051 1.177821 0.254331
C -6.458532 0.807057 -1.357972
C -4.868394 -1.460908 1.808973
C 6.451663 -0.830324 -1.396840
C 4.882843 1.470344 1.755924
H -0.525773 1.167688 0.858549
H -0.533423 1.152833 -0.905643
H 0.528766 -1.174405 -0.895747
H 0.534466 -1.168087 0.868513
H -2.032555 -0.863795 0.888648
H -2.013315 -0.905990 -0.883174
H 2.008076 0.885097 -0.909005
H 2.041655 0.863189 0.862951
H -5.139291 2.153446 -0.283130
H -6.203825 1.148974 0.755824
H -3.891155 -1.828355 -0.090474
H -5.621254 -1.490890 -0.211499
H 5.139260 -2.166504 -0.300954
H 6.210656 -1.152671 0.721645
H 3.892051 1.816688 -0.140388
H 5.621332 1.478128 -0.270015
H -6.944497 -0.186343 -1.236676
H -7.261261 1.575283 -1.404852
H -3.917851 -1.261433 2.347321
H -5.657117 -0.800799 2.228872
H 6.939484 0.163547 -1.287403
H 7.253229 -1.599820 -1.442508
H 3.936507 1.275707 2.303364
H 5.675451 0.815854 2.177277
H -6.171359 0.690367 -3.360676
H -5.313378 -3.141688 2.859583
H 6.151153 -0.731572 -3.398553
H 5.333818 3.163024 2.784653


