%chk=000111059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111059

0 1
 O   0.4312000       2.023700      0.3689000    
 O    2.349500      -2.264800     -0.8605000    
 O    3.272800      0.9320000     -0.9144000    
 O    3.039700      0.3109000       1.186700    
 N    2.654100      0.4057000      1.6600000E-02
 C    1.306100     -0.1481000     -0.2936000    
 C   0.2962000      0.6142000      0.5809000    
 C   -1.145100      0.2729000      0.2704000    
 C    1.387300      -1.647300     -9.3999999E-03
 C   -1.823300       1.010200     -0.6848000    
 C   -1.753800     -0.7695000      0.9478000    
 C   -3.151600      0.6956000     -0.9712000    
 C   -3.082100      -1.084000      0.6611000    
 C   -3.781000     -0.3515000     -0.2985000    
 H    1.136800      4.2500000E-02  -1.361100    
 H   0.4743000      0.4416000       1.650700    
 H   0.4301000      -2.138000     -0.2078000    
 H    1.661800      -1.867500       1.027900    
 H   -1.354100       1.818200      -1.238000    
 H   -1.219600      -1.343700       1.699200    
 H    1.232300       2.320500      0.8328000    
 H   -3.694800       1.262800      -1.721500    
 H   -3.572500      -1.899100       1.185300    
 H   -4.815000     -0.5973000     -0.5223000    
 H    2.077800      -2.096400      -1.778900    


%chk=000111059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111059

0 1
O 0.455050 2.059755 0.650712
O 2.317093 -2.295803 -0.937311
O 3.448226 0.464082 -1.153977
O 3.053912 0.888165 1.054733
N 2.696144 0.471173 -0.117629
C 1.281854 -0.086672 -0.281387
C 0.304611 0.604181 0.722010
C -1.134870 0.263836 0.360202
C 1.339683 -1.628352 -0.090985
C -1.778623 0.949257 -0.700033
C -1.834714 -0.748215 1.060376
C -3.102470 0.616144 -1.059930
C -3.158977 -1.084149 0.697907
C -3.794559 -0.405272 -0.366759
H 1.008564 0.165744 -1.321939
H 0.541480 0.234735 1.740328
H 0.313723 -2.012022 -0.258866
H 1.652143 -1.869112 0.939317
H -1.250383 1.762736 -1.208433
H -1.354408 -1.265054 1.900987
H 1.308606 2.301364 1.098467
H -3.597579 1.156321 -1.874495
H -3.694356 -1.864848 1.249236
H -4.822335 -0.661559 -0.646570
H 2.159286 -2.072835 -1.889662


