%chk=000104795.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104795

0 1
 O    1.157200      0.3605000      -1.221900    
 O   0.7868000       3.212300      1.5799999E-02
 O    2.805000       2.114600       1.444100    
 O    2.819100      -1.558000     -0.8992000    
 N  -0.9840000      7.0200004E-02 -0.2235000    
 N    4.399100     -0.2451000      0.1959000    
 N   -1.861700      -1.835200      0.5365000    
 N   -3.021000       1.328200     -0.6373000    
 N   -5.002500      2.1900000E-02 -6.8999998E-02
 N   -4.868900      -2.209800      0.7848000    
 C   0.5671000       1.894100      0.5176000    
 C   3.1500001E-02   1.043200     -0.6306000    
 C    1.886100       1.223400      0.8451000    
 C    2.344600      0.7442000     -0.5176000    
 C    3.195000     -0.4802000     -0.4453000    
 C   -2.340300      0.2413000     -0.2432000    
 C  -0.7475000      -1.193600      0.2522000    
 C   -2.865000     -0.9501000      0.2316000    
 C    5.391500      -1.272400      0.4158000    
 C   -4.251100      -1.038800      0.3129000    
 C   -4.350500       1.123200     -0.5137000    
 C    4.909500      -2.593900     -0.1510000    
 H  -9.7199999E-02   1.973800       1.383500    
 H  -0.4216000       1.650400      -1.423000    
 H    1.723400      0.3759000       1.522300    
 H    2.866700       1.520000      -1.089900    
 H  -8.3200000E-02   3.589100     -0.2009000    
 H    2.392800       2.456500       2.255800    
 H   0.2485000      -1.594600      0.3779000    
 H    4.609800      0.6902000      0.5318000    
 H    6.319500     -0.9505000     -6.5899998E-02
 H    5.565600      -1.344500       1.493500    
 H   -4.983300       1.952800     -0.8107000    
 H    4.021600      -2.983400      0.3579000    
 H    4.793800      -2.579900      -1.239800    
 H    5.691200      -3.341300      3.7999999E-02
 H   -5.877700      -2.249600      0.8356000    
 H   -4.310100      -3.002200       1.071400    


%chk=000104795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104795

0 1
O 1.062042 0.372285 -1.632529
O 0.874679 3.232407 -0.427005
O 2.654436 2.105917 1.163145
O 2.274644 -1.974792 -0.681213
N -1.048996 0.009772 -0.549615
N 4.009573 -0.754062 0.309580
N -2.017260 -2.010144 -0.063658
N -2.911932 1.530157 0.084531
N -4.866838 0.280391 0.905976
N -4.917973 -2.078256 1.062572
C 0.393923 1.943693 0.082375
C -0.105445 1.028564 -1.065925
C 1.668284 1.212810 0.583059
C 2.201727 0.504646 -0.707269
C 2.821612 -0.871360 -0.384428
C -2.331588 0.301677 -0.075715
C -0.911798 -1.395537 -0.529815
C -2.912001 -0.959930 0.220282
C 4.782480 -1.918082 0.782221
C -4.241574 -0.935239 0.734070
C -4.183892 1.419080 0.579987
C 6.184129 -1.991286 0.143212
H -0.377038 2.082699 0.858690
H -0.608512 1.603742 -1.862819
H 1.409594 0.476855 1.361120
H 2.953194 1.161027 -1.186273
H 0.118009 3.855821 -0.547990
H 2.532520 2.983750 0.702316
H 0.015396 -1.874426 -0.847571
H 4.323663 0.186412 0.571967
H 4.865952 -1.876575 1.885738
H 4.188678 -2.810708 0.522288
H -4.724686 2.357334 0.736675
H 6.107481 -2.077909 -0.954398
H 6.786066 -1.094259 0.379980
H 6.728764 -2.874226 0.524342
H -5.867219 -2.005730 1.422513
H -4.470292 -2.983818 0.937084


