%chk=000005173.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005173

0 1
 O    3.509600     -0.1473000       1.433100    
 O   -3.516700     -0.1408000      -1.434700    
 O    4.475200      -2.220000     -3.3000000E-03
 O   -4.486500      -2.215700      1.5000000E-03
 N    4.069000      -1.031900     -0.6253000    
 N   -4.065700      -1.032600      0.6236000    
 C   0.7337000       1.121200      0.2247000    
 C  -0.7298000       1.121800     -0.2227000    
 C    1.681600       1.145400     -0.9784000    
 C   -1.677800       1.143400      0.9803000    
 C    3.150800       1.179100     -0.5606000    
 C   -3.147000       1.178100      0.5624000    
 C    3.595800     -5.0600000E-02  0.2118000    
 C   -3.592200     -5.0000001E-02 -0.2123000    
 H   0.9259000       1.994900      0.8590000    
 H   0.9168000      0.2293000      0.8343000    
 H  -0.9133000      0.2313000     -0.8343000    
 H  -0.9219000       1.996900     -0.8552000    
 H    1.498100      0.2628000      -1.603200    
 H    1.469400       2.027700      -1.593800    
 H   -1.494400      0.2595000       1.603200    
 H   -1.465700       2.024500       1.597600    
 H    3.347400       2.056300      6.7500003E-02
 H    3.778100       1.292000      -1.453300    
 H   -3.774500       1.288000       1.455300    
 H   -3.343700       2.056900     -6.3500002E-02
 H    4.209800     -0.9587000      -1.626600    
 H   -4.013200      -1.038400       1.635800    
 H    5.251500      -2.443100     -0.5442000    
 H   -5.440100      -2.041400     -7.2099999E-02


%chk=000005173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005173

0 1
O 3.315559 -0.654006 1.008631
O -3.319830 -0.556188 -1.090245
O 5.008816 -2.162719 -0.336829
O -5.050986 -2.094032 0.171381
N 4.552526 -0.911160 -0.880190
N -4.575740 -0.878535 0.776118
C 0.757597 1.118837 0.189081
C -0.740830 1.139641 -0.185491
C 1.668626 1.138057 -1.058731
C -1.652624 1.109461 1.061499
C 3.190386 1.133056 -0.735795
C -3.173833 1.143658 0.738057
C 3.669133 -0.174803 -0.129515
C -3.672227 -0.124913 0.067699
H 0.996642 1.996343 0.826652
H 0.988779 0.224190 0.796648
H -0.985566 0.280561 -0.837397
H -0.966016 2.051932 -0.777756
H 1.426283 0.273114 -1.708022
H 1.452854 2.048051 -1.654274
H -1.424185 0.209196 1.666384
H -1.423788 1.984722 1.702452
H 3.411660 1.938141 -0.009066
H 3.767807 1.353127 -1.655514
H -3.749022 1.326718 1.667238
H -3.381813 1.987167 0.052064
H 4.954144 -0.716046 -1.794668
H -4.978456 -0.720595 1.697344
H 4.508738 -2.162917 0.547332
H -4.544434 -2.061456 -0.708487