%chk=000017515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017515

0 1
 O    2.096800      0.4177000      0.9323000    
 O    2.649900     -0.2888000      -1.212700    
 N   -2.502000     -0.6790000      1.5100000E-02
 N    4.171200     -0.4758000      0.5288000    
 C   -3.810100     -0.2991000     -0.4796000    
 C   -2.297900      -2.025900      0.5101000    
 C   -1.437300      0.2460000      2.6000000E-03
 C  -0.1817000     -0.1297000      0.4800000    
 C   -1.639600       1.535900     -0.4882000    
 C   -4.565100      0.4770000      0.5823000    
 C   -1.657000      -2.885200     -0.5627000    
 C   0.8717000      0.7845000      0.4666000    
 C  -0.5862000       2.450200     -0.5013000    
 C   0.6694000       2.074500     -2.3900000E-02
 C    2.958400     -0.1361000     -3.4499999E-02
 C    5.259600      -1.066300     -0.2150000    
 H   -3.761800      0.2475000      -1.428200    
 H   -4.391800      -1.199400     -0.7176000    
 H   -1.732500      -2.052800       1.448300    
 H   -3.266200      -2.474700      0.7684000    
 H   3.4200002E-02  -1.116100      0.8759000    
 H   -2.587800       1.890300     -0.8766000    
 H   -4.679600     -0.1203000       1.493700    
 H   -4.069200       1.410000      0.8638000    
 H   -5.567200      0.7292000      0.2208000    
 H   -2.281200      -2.916000      -1.462700    
 H  -0.6688000      -2.525900     -0.8628000    
 H   -1.541700      -3.912200     -0.2012000    
 H  -0.7424000       3.454600     -0.8840000    
 H    1.485600       2.791700     -3.6800001E-02
 H    4.305700     -0.3023000       1.520100    
 H    6.131800     -0.4155000     -0.1174000    
 H    5.002700      -1.187000      -1.269900    
 H    5.484500      -2.040500      0.2258000    


%chk=000017515-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017515

0 1
O 2.341485 0.797585 0.049706
O 2.347496 -1.592746 0.192713
N -2.424932 -0.587466 -0.100397
N 4.295748 -0.285926 0.278425
C -3.842131 -0.262894 -0.346027
C -2.103943 -2.003860 0.166464
C -1.430507 0.400904 -0.131967
C -0.048197 0.038609 -0.026318
C -1.758196 1.788364 -0.268727
C -4.614786 0.162005 0.926261
C -1.709688 -2.805026 -1.097368
C 0.936127 1.043272 -0.054134
C -0.739980 2.761724 -0.302878
C 0.622030 2.413316 -0.194727
C 2.936764 -0.482396 0.176900
C 5.234602 -1.400219 0.418258
H -3.911826 0.527711 -1.116425
H -4.323968 -1.158433 -0.783372
H -1.296963 -2.064499 0.919691
H -2.994411 -2.468272 0.632335
H 0.266728 -0.999853 0.058007
H -2.799851 2.113809 -0.331545
H -4.597204 -0.645026 1.681128
H -4.163923 1.060342 1.382719
H -5.671371 0.384988 0.685403
H -2.526755 -2.791041 -1.841818
H -0.807978 -2.379831 -1.569898
H -1.497283 -3.858681 -0.836593
H -1.016452 3.817225 -0.406473
H 1.420516 3.158910 -0.214041
H 4.630322 0.677224 0.249707
H 5.935785 -1.446314 -0.435802
H 4.650875 -2.333916 0.445079
H 5.816266 -1.319090 1.355218


