%chk=000095618.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095618

0 1
 O   0.5880000       1.765100     -0.8165000    
 N    2.775900     -1.2100000E-02 -0.2219000    
 C   0.3748000      0.3490000     -0.7432000    
 C    1.407100     -0.2768000      0.2155000    
 C   -1.028300      9.0499997E-02 -0.3083000    
 C    3.735500     -0.5885000      0.7076000    
 C   -1.698000      -1.048800     -0.7545000    
 C   -1.670700      0.9877000      0.5450000    
 C    5.160900     -0.3266000      0.2670000    
 C   -3.010000      -1.291000     -0.3478000    
 C   -2.982800      0.7455000      0.9518000    
 C   -3.652500     -0.3939000      0.5053000    
 H   0.5315000     -4.0600002E-02  -1.757200    
 H    1.235600      -1.358700      0.2778000    
 H    1.264400      0.1438000       1.219800    
 H    2.924100      0.9941000     -0.2949000    
 H    3.595400     -0.1687000       1.710900    
 H    3.587400      -1.672600      0.7769000    
 H   -1.207700      -1.756400      -1.417900    
 H   -1.168800       1.875500      0.9200000    
 H    5.355500     -0.7576000     -0.7210000    
 H    5.370400      0.7473000      0.2187000    
 H    5.865600     -0.7753000      0.9746000    
 H  -4.4000000E-02   2.126700      -1.461800    
 H   -3.531300      -2.178500     -0.6947000    
 H   -3.482200       1.442000       1.618900    
 H   -4.673700     -0.5829000      0.8230000    


%chk=000095618-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095618

0 1
O 0.713573 1.717865 -0.870691
N 2.769785 -0.076628 -0.147912
C 0.397113 0.275879 -0.717000
C 1.391009 -0.225173 0.345398
C -1.055307 0.054097 -0.316536
C 3.816617 -0.518267 0.795921
C -1.801012 -1.009243 -0.882605
C -1.672795 0.895506 0.644798
C 5.218029 -0.307416 0.196784
C -3.139517 -1.237846 -0.489669
C -3.011244 0.670952 1.035495
C -3.748147 -0.397642 0.471286
H 0.616923 -0.254469 -1.667789
H 1.188760 -1.295412 0.545246
H 1.190007 0.331289 1.296085
H 2.924105 0.887347 -0.476723
H 3.753233 0.005065 1.784687
H 3.661081 -1.596430 1.002500
H -1.333120 -1.658907 -1.633362
H -1.099580 1.727543 1.068646
H 5.314375 -0.858068 -0.755324
H 5.405626 0.764383 -0.006976
H 6.000997 -0.660346 0.892214
H 0.096925 2.111159 -1.538252
H -3.707081 -2.062786 -0.934989
H -3.481161 1.326292 1.777852
H -4.787091 -0.570545 0.774014


