%chk=000051112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051112

0 1
 O   0.4023000      0.3862000      5.6400001E-02
 O  -0.9747000       2.047500      0.8463000    
 O   -5.651600     -0.3192000      -1.363700    
 N   -1.818600      0.1438000     -0.1708000    
 N   -4.043900     -0.7399000     -6.7699999E-02
 N   -5.327800     -0.4643000     -0.1788000    
 C    2.788700      0.3664000      0.1532000    
 C    1.544000       1.133500      0.4907000    
 C   -3.226900      0.4809000     -6.1999999E-02
 C    3.312000     -0.5360000       1.072600    
 C    3.407900      0.5650000      -1.075700    
 C  -0.8124000      0.9624000      0.2973000    
 C    4.469300      -1.248800      0.7591000    
 C    4.565200     -0.1478000      -1.389300    
 C    5.095800      -1.054700     -0.4718000    
 C   -3.729300      -1.575200       1.104200    
 H    1.485200       1.303500       1.573000    
 H    1.555900       2.112400     -4.8000002E-03
 H   -3.389600       1.087900      0.8385000    
 H   -3.443800       1.111800     -0.9337000    
 H    2.830900     -0.6965000       2.033500    
 H    3.002100       1.267400      -1.798600    
 H   -1.562300     -0.7120000     -0.6530000    
 H    4.882100      -1.955400       1.473200    
 H    5.052900      2.7999999E-03  -2.348000    
 H    5.996700      -1.609900     -0.7161000    
 H   -3.912200      -1.046900       2.048200    
 H   -2.687700      -1.914100       1.091100    
 H   -4.341800      -2.485900       1.102000    


%chk=000051112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051112

0 1
O 0.370832 0.252100 -0.141122
O -1.189073 1.288788 1.296933
O -3.793666 -2.013574 -1.375810
N -1.839150 0.202327 -0.680487
N -3.920548 -0.606550 0.361294
N -4.181768 -1.862437 -0.150621
C 2.766871 0.153125 0.239327
C 1.467668 0.676531 0.797730
C -3.262421 0.430177 -0.479189
C 3.243855 -1.128855 0.611576
C 3.528342 0.934912 -0.665571
C -0.916193 0.636939 0.251767
C 4.457976 -1.623818 0.086260
C 4.742916 0.443428 -1.193251
C 5.210167 -0.837767 -0.817682
C -4.263967 -0.371228 1.772294
H 1.237674 0.262124 1.795152
H 1.448084 1.778672 0.862866
H -3.404944 1.395772 0.029135
H -3.760284 0.424994 -1.462596
H 2.660617 -1.740205 1.310787
H 3.166415 1.928041 -0.958193
H -1.537543 -0.422095 -1.430055
H 4.817621 -2.615857 0.380737
H 5.323848 1.056055 -1.891436
H 6.153599 -1.219333 -1.224031
H -5.055302 0.395424 1.863479
H -3.372507 -0.030512 2.326519
H -4.630719 -1.322280 2.189487


