%chk=000085336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085336

0 1
 O    1.078700      -3.082800      0.5030000    
 O   -1.112700      -2.114200     -0.5648000    
 O   -2.814200       2.523000      0.6534000    
 N   -1.498900      0.1201000      3.8600001E-02
 C    2.650800      0.7146000     -0.2125000    
 C    3.503100     -0.3523000      0.1592000    
 C   0.7408000     -0.7881000     -9.8899998E-02
 C    1.271700      0.4800000     -0.3373000    
 C    1.579000      -1.837200      0.2663000    
 C    2.951500      -1.622200      0.3948000    
 C    3.202400       1.984400     -0.4481000    
 C    4.882200     -0.1180000      0.2836000    
 C  -0.6944000     -0.9927000     -0.2388000    
 C   -2.912100      0.2136000      1.1100000E-02
 C    4.575000       2.199100     -0.3191000    
 C    5.413200       1.150000      4.5800000E-02
 C   -3.531900       1.413300      0.3185000    
 C   -3.645200     -0.9118000     -0.3280000    
 C   -4.924200       1.490100      0.2863000    
 C   -5.037700     -0.8349000     -0.3602000    
 C   -5.677200      0.3660000     -5.2999999E-02
 H   0.6432000       1.305700     -0.6645000    
 H    3.601000      -2.447900      0.6808000    
 H    2.566700       2.819700     -0.7344000    
 H    5.556500     -0.9232000      0.5679000    
 H   -1.028200      0.9523000      0.3741000    
 H    4.988900       3.186100     -0.5040000    
 H    6.481600       1.318000      0.1457000    
 H   -3.232100      -1.876700     -0.5785000    
 H   -5.428800       2.422600      0.5246000    
 H   -5.625500      -1.709400     -0.6243000    
 H   -6.761300      0.4258000     -7.8000002E-02
 H    1.808300      -3.679000      0.7439000    
 H   -1.919400       2.460600      0.2850000    


%chk=000085336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085336

0 1
O 0.997471 -2.904033 0.991164
O -1.061007 -2.062459 -1.008749
O -2.660254 2.047973 1.258589
N -1.521125 -0.054965 0.126788
C 2.768692 0.702596 -0.388866
C 3.608455 -0.307555 0.221542
C 0.791234 -0.761121 -0.093028
C 1.367239 0.438308 -0.525396
C 1.636828 -1.751643 0.522446
C 3.008231 -1.525555 0.674064
C 3.360530 1.926655 -0.841304
C 5.012265 -0.048020 0.359242
C -0.669324 -1.046705 -0.363737
C -2.926988 0.040135 -0.019664
C 4.731483 2.152990 -0.694708
C 5.561515 1.156178 -0.088943
C -3.546531 1.170881 0.588741
C -3.739782 -0.891181 -0.713106
C -4.935462 1.375694 0.511362
C -5.136064 -0.684101 -0.791731
C -5.737724 0.440308 -0.184930
H 0.736000 1.190350 -1.014569
H 3.641210 -2.283695 1.154800
H 2.720377 2.685417 -1.307253
H 5.652363 -0.809254 0.820979
H -1.101085 0.692182 0.689232
H 5.177380 3.090700 -1.043037
H 6.635589 1.342832 0.020488
H -3.264601 -1.759791 -1.172071
H -5.390939 2.253905 0.986973
H -5.753130 -1.410884 -1.330116
H -6.819846 0.594356 -0.247757
H 1.651855 -3.545880 1.364320
H -3.144058 2.799984 1.676433


