%chk=000047699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047699

0 1
 O   -1.429600     -0.5577000      -1.666500    
 O   -3.800100     -0.3597000       1.560200    
 O    5.352600      6.4900003E-02  0.6650000    
 O   -5.907500      -1.795300      0.6714000    
 N   -2.248000       1.061700     -0.2227000    
 N    3.428200      -1.025600     -0.1514000    
 N   -5.277900     -0.8475000     -0.1465000    
 C   0.1415000      0.6359000     -0.3995000    
 C    2.435400     -4.8300002E-02 -7.2400004E-02
 C    1.133600     -0.3415000     -0.4787000    
 C   0.4513000       1.906400      8.5900001E-02
 C   -1.215800      0.3310000     -0.8228000    
 C    2.745000       1.222300      0.4129000    
 C    1.753000       2.199600      0.4922000    
 C   -3.647800      0.8591000     -0.5198000    
 C    4.778700     -0.9176000      0.2064000    
 C   -4.217500     -0.1815000      0.4185000    
 C    5.525000      -2.206200     -3.2299999E-02
 H   0.8974000      -1.335700     -0.8520000    
 H  -0.2823000       2.705700      0.1351000    
 H    3.728800       1.524600      0.7438000    
 H    1.995000       3.191400      0.8633000    
 H   -2.038600       1.722700      0.5178000    
 H   -3.758200      0.5490000      -1.563500    
 H   -4.172800       1.805800     -0.3629000    
 H    3.123600      -1.925800     -0.5159000    
 H    5.097300      -3.000600      0.5857000    
 H    6.578600      -2.078700      0.2312000    
 H    5.455100      -2.485800      -1.087400    
 H   -5.607500     -0.7639000      -1.101600    
 H   -6.098700      -2.489200      1.8100001E-02


%chk=000047699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047699

0 1
O -1.650459 -0.503204 -1.427616
O -5.507341 0.039134 0.840707
O 5.241891 -0.175783 0.617731
O -4.673986 -2.450793 0.227846
N -2.399208 1.292468 -0.169352
N 3.230598 -1.093291 -0.175342
N -4.068756 -1.289817 -0.364348
C 0.014534 0.801278 -0.224867
C 2.325240 -0.011077 0.004735
C 0.976910 -0.221113 -0.375672
C 0.406788 2.063361 0.295356
C -1.388123 0.484328 -0.651872
C 2.716244 1.247935 0.539829
C 1.750795 2.268344 0.671347
C -3.794928 1.131319 -0.616519
C 4.597838 -1.145385 0.121278
C -4.523885 -0.064235 0.023564
C 5.266608 -2.479637 -0.198656
H 0.645459 -1.175601 -0.802884
H -0.303842 2.894539 0.368702
H 3.756132 1.405070 0.830761
H 2.060623 3.242041 1.065467
H -2.201861 1.957232 0.579370
H -3.797768 1.020298 -1.715589
H -4.362478 2.033856 -0.342597
H 2.822683 -1.941458 -0.574850
H 5.686315 -2.901472 0.730912
H 6.111876 -2.299983 -0.884745
H 4.591270 -3.224896 -0.653365
H -3.214294 -1.455382 -0.921960
H -5.397075 -2.028576 0.794230


