%chk=000039130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039130

0 1
 O   -1.100400     -0.7798000       2.060100    
 O   0.7279000       2.864400      0.2632000    
 O   -3.731700     -0.8803000      0.1328000    
 O   -1.960600      0.1775000      -2.398800    
 N   -1.459500     -0.4548000     -0.2185000    
 N  -0.4805000       1.491600      -1.179800    
 C   0.5397000      0.5137000      0.8283000    
 C    1.014400      0.9645000       2.227400    
 C  -0.7535000     -0.2932000      0.9831000    
 C    1.669900     -0.3492000      0.2245000    
 C   0.2758000       1.756400     -2.8100001E-02
 C   -1.329900      0.3754000      -1.355200    
 C  -4.4500001E-02   1.794700       2.919400    
 C    2.680800      0.2606000     -0.5060000    
 C    1.660100      -1.723800      0.4199000    
 C   -2.502500      -1.473500     -0.2579000    
 C  -0.5001000       2.509000      -2.224800    
 C    3.701100     -0.5187000      -1.051300    
 C    2.680400      -2.503000     -0.1255000    
 C    3.701000      -1.900500     -0.8610000    
 C   -4.787800      -1.831200      0.1480000    
 H    1.935700       1.557600       2.152400    
 H    1.259100      0.1016000       2.861100    
 H  -0.3976000       2.651900       2.342600    
 H  -0.9204000       1.220200       3.228500    
 H   0.3810000       2.202900       3.844400    
 H    2.722300       1.334000     -0.6590000    
 H   0.8934000      -2.225600       1.000900    
 H   -2.246000      -2.287200      0.4303000    
 H   -2.590600      -1.878700      -1.272200    
 H  -0.4699000       2.032500      -3.209300    
 H   0.3459000       3.195200      -2.132100    
 H   -1.434900       3.071500      -2.137300    
 H    4.498200     -4.9400002E-02  -1.620600    
 H    2.683000      -3.578500      2.6100000E-02
 H    4.496500      -2.506900      -1.283900    
 H   -4.935900      -2.255600     -0.8498000    
 H   -5.706200      -1.320800      0.4501000    
 H   -4.577000      -2.626800      0.8691000    


%chk=000039130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039130

0 1
O -0.866375 -1.252504 1.853566
O 0.923019 2.731999 -0.008582
O -3.781434 -0.751880 0.309222
O -2.148598 0.183561 -2.398573
N -1.511753 -0.551120 -0.265626
N -0.567014 1.439872 -1.238992
C 0.553093 0.436006 0.779499
C 0.944114 0.929760 2.210556
C -0.664689 -0.499505 0.867054
C 1.757273 -0.376443 0.185540
C 0.307223 1.641844 -0.147024
C -1.438658 0.338364 -1.374353
C -0.147317 1.753499 2.923916
C 2.840500 0.306092 -0.427300
C 1.833912 -1.784876 0.336959
C -2.642936 -1.480821 -0.250802
C -0.638283 2.461881 -2.312566
C 3.964689 -0.408575 -0.895543
C 2.960515 -2.495494 -0.134052
C 4.029372 -1.813146 -0.755913
C -4.993101 -1.575331 0.321637
H 1.863853 1.531115 2.104668
H 1.190406 0.032197 2.804548
H -0.388329 2.674765 2.364685
H -1.071227 1.165622 3.065263
H 0.209184 2.057134 3.924569
H 2.815604 1.396066 -0.529135
H 1.029725 -2.331932 0.839008
H -2.372631 -2.339201 0.392418
H -2.853256 -1.793798 -1.290903
H -0.362343 2.006842 -3.277166
H 0.061277 3.266548 -2.046562
H -1.663247 2.857955 -2.391127
H 4.790902 0.135580 -1.366506
H 3.001949 -3.583198 -0.008478
H 4.901426 -2.366413 -1.121333
H -5.283510 -1.883991 -0.704513
H -5.783187 -0.941095 0.750664
H -4.863449 -2.479680 0.952373


