%chk=000094102.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094102

0 1
 O   0.6977000      -3.646000      0.4022000    
 O    1.084600      -2.351500      -1.458600    
 O    2.683000      0.7977000       1.787500    
 O    3.609600      0.8006000      -1.912200    
 N    1.421300     -7.2200000E-02  4.6900000E-02
 N   -3.289600      -1.044300     -0.4732000    
 N    2.567000       3.251400      0.6430000    
 C  -0.2397000      -1.115500       1.533200    
 C    1.048000      -1.296100      0.7152000    
 C   -1.464300     -0.7988000      0.7165000    
 C   -1.909200      0.4902000      0.3734000    
 C   -3.070000      0.3117000     -0.3823000    
 C   -2.310500      -1.727200      0.1971000    
 C   0.9546000      -2.474900     -0.2450000    
 C   -1.455400       1.801200      0.6198000    
 C    2.221600      0.8875000      0.6515000    
 C    2.459700       2.097200     -0.2474000    
 C   -3.802500       1.383000     -0.9059000    
 C   -2.178000       2.882500      0.1023000    
 C   -3.333300       2.674200     -0.6485000    
 C    3.729400       1.952200      -1.083800    
 C   0.5762000      -4.802900     -0.4315000    
 H  -0.4366000      -2.026000       2.114900    
 H  -9.2200004E-02 -0.3195000       2.275100    
 H    1.862100      -1.544400       1.408900    
 H   -2.320300      -2.807500      0.2340000    
 H    1.075400      8.5199997E-02 -0.8953000    
 H   -4.062200      -1.472800     -0.9640000    
 H  -0.5628000       1.984600       1.209900    
 H    1.594500       2.229300     -0.9082000    
 H   -4.702000       1.221800      -1.490500    
 H   -1.833300       3.895800      0.2907000    
 H   -3.879300       3.528500      -1.040500    
 H    4.611800       1.818200     -0.4480000    
 H    3.881900       2.827100      -1.724500    
 H    2.734500       4.093000      9.2699997E-02
 H    1.678600       3.398700       1.121300    
 H  -0.2577000      -4.680400      -1.129100    
 H   0.3729000      -5.664300      0.2103000    
 H    1.510800      -4.980300     -0.9720000    
 H    4.429900      0.7361000      -2.430400    


%chk=000094102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094102

0 1
O 0.827112 -3.656983 0.581705
O 1.448495 -2.429487 -1.294955
O 2.042627 1.125227 2.054639
O 2.326780 0.958673 -2.243819
N 1.521466 -0.095392 0.142457
N -3.154998 -0.969443 -0.836274
N 3.103759 3.192995 0.646745
C -0.289409 -1.143585 1.580137
C 1.112912 -1.288419 0.882244
C -1.419999 -0.794075 0.647690
C -1.886973 0.542634 0.313021
C -2.975115 0.401979 -0.619742
C -2.220765 -1.684151 -0.070723
C 1.156665 -2.475484 -0.077971
C -1.502485 1.845947 0.729545
C 1.963141 1.029614 0.782690
C 2.351649 2.213656 -0.143806
C -3.671103 1.513092 -1.146326
C -2.195544 2.957003 0.212360
C -3.265613 2.793395 -0.718398
C 3.202232 1.763328 -1.356606
C 0.864350 -4.886316 -0.248548
H -0.486380 -2.094046 2.106767
H -0.165650 -0.357766 2.346647
H 1.842045 -1.476016 1.696970
H -2.201700 -2.772965 -0.081545
H 1.543118 -0.102816 -0.894395
H -3.856810 -1.382990 -1.445476
H -0.686476 1.982884 1.448837
H 1.397202 2.617474 -0.554815
H -4.496457 1.392719 -1.857309
H -1.915135 3.967704 0.529838
H -3.783137 3.679038 -1.104085
H 4.075490 1.177531 -1.006475
H 3.560316 2.665545 -1.887757
H 2.884686 4.170524 0.448321
H 3.086286 2.959603 1.648120
H 0.176382 -4.790073 -1.105259
H 0.550443 -5.691453 0.429973
H 1.886796 -5.058850 -0.624132
H 2.855997 0.522844 -2.954792


