%chk=000028200.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028200

0 1
 O  -0.3075000     -0.2050000       2.320000    
 O  -0.5214000     -0.1804000      -2.370800    
 O   -2.480500       3.163300      8.6599998E-02
 N   -1.476700       1.423900       1.205600    
 N   -1.584200       1.435900      -1.137600    
 C  -0.8498000     -0.6143000     -7.7000000E-03
 C   -2.117300      -1.486000      4.5699999E-02
 C   0.3877000      -1.521500     -6.8999998E-02
 C  -0.8173000      0.2059000       1.278000    
 C  -0.9344000      0.2193000      -1.282400    
 C   -2.242000      -2.315200      -1.226900    
 C   -2.090700      -2.381800       1.278400    
 C    1.652200     -0.7157000     -4.8099998E-02
 C   -1.903100       2.075200      5.4400001E-02
 C    2.216500     -0.2875000      -1.245100    
 C    2.250800     -0.4033000       1.167800    
 C    3.392600      0.4620000      -1.225900    
 C    3.427100      0.3463000       1.187000    
 C    3.998000      0.7789000     -9.8999999E-03
 H   -3.009400     -0.8487000      0.1170000    
 H   0.4143000      -2.146900     -0.9685000    
 H   0.4485000      -2.221400      0.7711000    
 H   -1.411800      -3.005800      -1.391700    
 H   -3.138800      -2.944300      -1.154900    
 H   -2.391400      -1.709200      -2.124000    
 H   -1.296000      -3.131600       1.266400    
 H   -3.026700      -2.955000       1.315200    
 H   -2.058100      -1.832800       2.221700    
 H   -1.590700       1.931000       2.078900    
 H   -1.777300       1.951900      -1.991400    
 H    1.800000     -0.5616000      -2.207800    
 H    1.881500     -0.7893000       2.111100    
 H    3.844600      0.7879000      -2.158200    
 H    3.909200      0.5769000       2.132500    
 H    4.917800       1.356300      4.6000001E-03


%chk=000028200-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028200

0 1
O -0.533814 -0.195995 2.440127
O -0.559576 -0.175078 -2.377064
O -2.500366 3.264326 0.056139
N -1.575848 1.458617 1.220799
N -1.609971 1.459197 -1.136670
C -0.858327 -0.632958 0.030250
C -2.179114 -1.573283 0.054909
C 0.457667 -1.478765 0.013472
C -0.934392 0.207689 1.317395
C -0.956331 0.215149 -1.249316
C -2.414536 -2.328654 -1.275563
C -2.165070 -2.579901 1.231542
C 1.751651 -0.665744 -0.014042
C -1.945129 2.138533 0.047194
C 2.364651 -0.313021 -1.245939
C 2.389001 -0.280030 1.195752
C 3.575523 0.415040 -1.267815
C 3.599591 0.448476 1.174404
C 4.197263 0.800696 -0.057768
H -3.034796 -0.881116 0.206975
H 0.412993 -2.132869 -0.873938
H 0.444787 -2.113848 0.914553
H -1.568705 -2.995540 -1.518919
H -3.316234 -2.958702 -1.166862
H -2.569813 -1.656946 -2.135109
H -1.448630 -3.400436 1.047319
H -3.168598 -3.034026 1.322721
H -1.910104 -2.110740 2.195589
H -1.723648 1.971416 2.096350
H -1.773360 1.976452 -2.006836
H 1.886082 -0.609370 -2.185718
H 1.931358 -0.553559 2.152999
H 4.035099 0.675648 -2.228043
H 4.078151 0.734467 2.117980
H 5.138247 1.362275 -0.074767


