%chk=000095562.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095562

0 1
 O   -3.523500      0.5043000     -0.7205000    
 O    1.827800       1.516900      0.7469000    
 O    2.055000      0.5407000      -1.287400    
 N    1.093200      -1.824300     -0.4545000    
 C  -0.3204000     -0.4854000       1.027000    
 C    1.111100     -0.7557000      0.5479000    
 C   -1.268200     -0.1035000     -0.1178000    
 C   -2.692300      0.1365000      0.3707000    
 C    1.717300      0.4704000     -0.1122000    
 H  -0.3147000      0.3208000       1.771100    
 H  -0.7084000      -1.377600       1.535400    
 H    1.751800      -1.054700       1.384300    
 H   -1.294700     -0.8868000     -0.8847000    
 H  -0.9160000      0.8019000     -0.6268000    
 H   -2.719200      0.9484000       1.104000    
 H   -3.108900     -0.7617000      0.8379000    
 H   0.6903000      -2.667300     -4.6700001E-02
 H    2.049500      -2.064600     -0.7136000    
 H   -3.509900     -0.2284000      -1.359700    
 H    2.208200       2.309100      0.3109000    


%chk=000095562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095562

0 1
O -3.634970 0.518479 -0.735123
O 1.773009 1.514779 0.700274
O 2.263164 0.363273 -1.253626
N 1.107815 -1.957089 -0.316003
C -0.344772 -0.431962 1.069832
C 1.096302 -0.809933 0.593532
C -1.275351 -0.026335 -0.090593
C -2.740996 0.100538 0.358527
C 1.765306 0.373486 -0.105454
H -0.273736 0.380576 1.817502
H -0.755109 -1.324758 1.582664
H 1.698911 -0.989002 1.514164
H -1.188368 -0.795515 -0.885131
H -0.954602 0.940933 -0.524548
H -2.855997 0.893492 1.117590
H -3.086398 -0.859291 0.803425
H 1.216944 -2.872708 0.117646
H 1.636892 -1.816794 -1.180149
H -3.535962 -0.123253 -1.483603
H 2.215918 2.260084 0.211271


