%chk=000151023.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151023

0 1
 O   -2.125300       2.497800      0.8869000    
 O  -0.1761000      0.9501000      -1.594800    
 O   -4.112900       2.163900     -0.1377000    
 O    3.746700      -1.649300       1.011600    
 O    4.857700     -0.9975000     -0.8545000    
 N   -1.177700      8.5400000E-02  0.3143000    
 N    4.714300       1.612600      1.9900000E-02
 C   -3.499200     -0.7620000      0.4573000    
 C   -3.130400      -2.239100      0.1903000    
 C   -2.548200      0.3191000     -7.8000002E-02
 C   -1.828400      -2.680200      0.8551000    
 C   -3.033700      -2.469700      -1.322500    
 C    1.222400      5.7799999E-02  0.1690000    
 C    2.360100      0.9938000     -0.2444000    
 C  -9.7599998E-02  0.4251000     -0.4875000    
 C    3.679800      0.6772000      0.4679000    
 C   -3.024800       1.730700      0.2257000    
 C    4.173300     -0.7158000      0.1214000    
 H   -3.594800     -0.6307000       1.544300    
 H   -4.504300     -0.5757000      5.4900002E-02
 H   -3.944800      -2.857600      0.5881000    
 H   -2.563100      0.2719000      -1.175000    
 H   -1.006200     -0.2197000       1.267600    
 H   -1.794000      -3.775700      0.8926000    
 H   -1.764900      -2.322800       1.887700    
 H  -0.9350000      -2.372600      0.3062000    
 H   -2.906700      -3.537200      -1.534400    
 H   -2.183900      -1.944600      -1.769900    
 H   -3.947200      -2.139400      -1.828300    
 H    1.115400      7.9999998E-02   1.259700    
 H    1.438800     -0.9750000     -0.1256000    
 H    2.064700       2.030000     -3.2699998E-02
 H    2.493900      0.9258000      -1.332800    
 H    3.579600      0.7647000       1.555100    
 H    4.792000       1.583300     -0.9966000    
 H    4.431500       2.565200      0.2485000    
 H   -2.460900       3.406500       1.040700    
 H    4.057300      -2.549100      0.7746000    


%chk=000151023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000151023

0 1
O -2.700000 2.346263 1.476122
O -0.140002 -0.222517 -1.396835
O -4.256889 2.109423 -0.231555
O 3.881592 -1.315781 1.454761
O 5.177665 -1.164532 -0.463346
N -1.160009 0.378369 0.605378
N 4.813001 1.578460 -0.523244
C -3.427156 -0.804719 0.572673
C -3.158694 -2.212853 -0.033695
C -2.523127 0.368192 0.061216
C -1.831297 -2.860194 0.430549
C -3.260245 -2.214535 -1.578519
C 1.297634 0.231070 0.550511
C 2.401887 0.778226 -0.380578
C -0.045608 0.120569 -0.175806
C 3.841835 0.793172 0.247557
C -3.250394 1.678433 0.365573
C 4.388403 -0.628408 0.344274
H -3.345870 -0.852721 1.677440
H -4.473257 -0.528320 0.333695
H -3.985615 -2.844133 0.358447
H -2.426627 0.293032 -1.036791
H -1.038110 0.724418 1.558907
H -1.805061 -3.925877 0.135459
H -1.716003 -2.809804 1.529846
H -0.962917 -2.367104 -0.037811
H -3.253460 -3.250859 -1.963342
H -2.400491 -1.689057 -2.033929
H -4.192581 -1.730095 -1.925467
H 1.205020 0.863176 1.455602
H 1.578280 -0.780119 0.903207
H 2.164603 1.827495 -0.645498
H 2.404075 0.206248 -1.326162
H 3.759690 1.187820 1.279499
H 5.318338 1.035808 -1.230061
H 4.469365 2.482232 -0.853685
H -3.229179 3.168511 1.660546
H 4.248602 -2.242086 1.459766


