%chk=000099502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099502

0 1
 O  -0.6293000      -1.523700     -4.0300000E-02
 O  -0.2469000     -0.4429000       1.953900    
 N    1.074800       2.678200       1.383500    
 C   0.3051000      0.6712000     -0.1585000    
 C  -0.8930000       1.138700      -1.035300    
 C    1.500000      0.1964000      -1.027700    
 C   -2.154000       1.555300     -0.2658000    
 C    2.704500     -0.3290000     -0.2301000    
 C  -0.2086000     -0.4746000      0.7293000    
 C   0.7371000       1.797400      0.7074000    
 C   -3.283300       1.924100      -1.217900    
 C    3.803900     -0.8265000      -1.157600    
 C   -1.146100      -2.649900      0.6754000    
 C   -1.564200      -3.714800     -0.3161000    
 H  -0.5701000       1.985800      -1.656800    
 H   -1.162500      0.3381000      -1.737600    
 H    1.836300       1.026600      -1.664000    
 H    1.161900     -0.5947000      -1.710000    
 H   -1.941300       2.414800      0.3791000    
 H   -2.502400      0.7419000      0.3792000    
 H    3.114600      0.4601000      0.4093000    
 H    2.398900      -1.153500      0.4231000    
 H   -2.994300       2.759000      -1.864300    
 H   -3.554700       1.074600      -1.852700    
 H   -4.172000       2.223400     -0.6533000    
 H    3.444500      -1.646100      -1.787900    
 H    4.161200     -2.2299999E-02  -1.808800    
 H    4.653800      -1.194400     -0.5743000    
 H  -0.3708000      -3.046900       1.340000    
 H   -2.011700      -2.338000       1.270400    
 H   -1.965300      -4.592500      0.1982000    
 H   -2.326000      -3.326300      -1.000000    
 H  -0.7127000      -4.023500     -0.9315000    


%chk=000099502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099502

0 1
O -0.634136 -1.577980 -0.003882
O -0.258891 -0.503984 2.027068
N 1.087158 2.726915 1.334433
C 0.259635 0.652479 -0.132597
C -0.922914 1.129804 -1.052664
C 1.457138 0.163150 -1.025556
C -2.174230 1.624555 -0.296064
C 2.680708 -0.357427 -0.241509
C -0.223628 -0.500541 0.779467
C 0.708979 1.781302 0.714747
C -3.277908 2.098810 -1.265425
C 3.828417 -0.774785 -1.185540
C -1.135368 -2.776883 0.742889
C -1.508227 -3.822903 -0.301184
H -0.536521 1.941195 -1.700306
H -1.189015 0.279125 -1.707533
H 1.762775 1.011300 -1.669205
H 1.066614 -0.632857 -1.686631
H -1.895084 2.451553 0.384765
H -2.571444 0.811655 0.343968
H 3.038059 0.425776 0.454564
H 2.384235 -1.222951 0.383922
H -2.923722 2.938551 -1.892413
H -3.594068 1.282595 -1.942130
H -4.170123 2.444961 -0.713459
H 3.507548 -1.576749 -1.876995
H 4.170527 0.081012 -1.797251
H 4.697338 -1.148492 -0.614731
H -0.333640 -3.118078 1.422357
H -1.996895 -2.461980 1.358887
H -1.886740 -4.731065 0.202153
H -2.296691 -3.447205 -0.975497
H -0.632486 -4.104859 -0.910345


