%chk=000015554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015554

0 1
 O  -0.5141000       1.924400      0.2254000    
 O    6.195000      0.4220000      0.5740000    
 O    5.824700      -1.333800     -0.6906000    
 N   -5.098400      0.3339000      0.1884000    
 N  -0.9712000     -0.3290000     -0.1229000    
 N    5.413300     -0.3371000     -4.8599999E-02
 C   -4.406000      0.9747000     -0.9314000    
 C   -2.904600       1.047700     -0.6340000    
 C   -4.647100      -1.058400      0.3450000    
 C   -2.336700     -0.2466000     -0.1064000    
 C   -3.138500      -1.238700      0.3324000    
 C   -6.548200      0.3903000      1.1100000E-02
 C   -2.677600      -2.583500      0.8276000    
 C  -0.1408000      0.7678000      4.5000002E-02
 C    1.316600      0.4781000      2.0000000E-02
 C    2.173000       1.314100      0.7052000    
 C    1.765300     -0.6177000     -0.6870000    
 C    3.540900       1.042000      0.6822000    
 C    3.133200     -0.8900000     -0.7101000    
 C    4.021100     -6.0100000E-02 -2.5300000E-02
 H   -4.777700       1.996000      -1.080700    
 H   -4.579900      0.4266000      -1.867400    
 H   -2.779900       1.835900      0.1182000    
 H   -2.392300       1.356000      -1.553600    
 H   -5.067800      -1.694400     -0.4460000    
 H   -5.032200      -1.428200       1.303700    
 H   -7.058400     -6.4800002E-02  0.8672000    
 H   -6.875100     -0.1245000     -0.8996000    
 H   -6.888400       1.430500     -4.0600002E-02
 H   -3.085800      -3.375200      0.1906000    
 H   -3.034000      -2.747800       1.850200    
 H   -1.592600      -2.704200      0.8456000    
 H  -0.5658000      -1.254800     -3.7900001E-02
 H    1.814600       2.172700       1.265200    
 H    1.109600      -1.267300      -1.257900    
 H    4.202900       1.709400       1.228200    
 H    3.472500      -1.753100      -1.277400    


%chk=000015554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015554

0 1
O -0.397432 2.148299 0.176721
O 6.368927 0.336735 0.483858
O 5.878566 -1.634546 -0.555398
N -5.255359 0.229717 0.113328
N -1.012208 -0.124810 0.066383
N 5.535564 -0.506687 -0.026775
C -4.522283 1.027271 -0.892125
C -3.075230 1.265944 -0.425351
C -4.694528 -1.125494 0.248320
C -2.437525 -0.041957 0.010618
C -3.178048 -1.161516 0.289860
C -6.713700 0.212110 -0.089722
C -2.565748 -2.499340 0.675204
C -0.088715 0.918697 0.095454
C 1.359927 0.485213 0.049506
C 2.319951 1.384545 0.583874
C 1.797768 -0.734461 -0.535063
C 3.689403 1.067906 0.567914
C 3.165830 -1.065651 -0.563917
C 4.092071 -0.160332 -0.002862
H -5.034715 1.999323 -1.010400
H -4.518143 0.527660 -1.896635
H -3.058953 1.991124 0.406405
H -2.485745 1.722010 -1.240868
H -5.036706 -1.804513 -0.585024
H -5.088649 -1.575516 1.183813
H -7.198654 -0.336012 0.738661
H -7.024381 -0.273368 -1.050459
H -7.101954 1.245806 -0.086444
H -3.335349 -3.290871 0.676206
H -2.122735 -2.477546 1.691081
H -1.776439 -2.836997 -0.028419
H -0.631992 -1.066434 0.188840
H 1.962384 2.332127 0.997840
H 1.083256 -1.414736 -1.012396
H 4.443743 1.742220 0.981175
H 3.527402 -1.993016 -1.015403


