%chk=000095004.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095004

0 1
 O    2.153000       1.421100     -0.8218000    
 O   -4.856100      0.5165000     -0.8512000    
 O   -4.517400      -1.613700     -0.4434000    
 O    4.501400      8.9999996E-03  -1.476900    
 N    3.185000     -0.2497000      0.4350000    
 N   -4.121800     -0.4230000     -0.4601000    
 N    5.071700      -1.533800      0.1275000    
 C  -0.2252000      0.4442000      0.8291000    
 C    1.173600      0.7561000       1.291400    
 C   -1.046000       1.475200      0.3945000    
 C  -0.6730000     -0.8691000      0.8440000    
 C   -2.803000     -0.1297000     -2.3800001E-02
 C   -2.341700       1.186700     -3.4200002E-02
 C   -1.968600      -1.157600      0.4152000    
 C    2.199900      0.7060000      0.1755000    
 C    4.268100     -0.5382000     -0.4008000    
 H    1.441300      8.5299999E-02   2.116900    
 H    1.211400       1.765600       1.721200    
 H  -0.6956000       2.503400      0.3808000    
 H  -2.9400000E-02  -1.676400       1.182300    
 H   -2.963400       2.012800     -0.3699000    
 H   -2.293700      -2.194600      0.4366000    
 H    3.124300     -0.7901000       1.293500    
 H    4.862300      -1.973400       1.017300    
 H    5.899500      -1.855300     -0.3631000    


%chk=000095004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095004

0 1
O 3.469559 1.926268 1.336719
O -3.903064 -0.496477 -1.844854
O -3.811468 -2.266422 -0.406647
O 4.991666 -0.369836 0.238827
N 2.632082 -0.068547 0.404992
N -3.388011 -1.126904 -0.842591
N 3.550288 -1.512066 -1.196664
C -0.039431 0.682007 1.167683
C 1.154525 1.313271 1.855436
C -0.651935 1.324583 0.055211
C -0.558225 -0.568920 1.602658
C -2.232396 -0.504078 -0.149686
C -1.747731 0.741663 -0.607985
C -1.654627 -1.170073 0.952465
C 2.539731 1.105318 1.170374
C 3.833730 -0.620405 -0.164714
H 1.263840 0.920183 2.884182
H 1.036842 2.406438 1.941692
H -0.267237 2.292543 -0.285180
H -0.110247 -1.066659 2.470525
H -2.232582 1.226437 -1.459525
H -2.070320 -2.126030 1.281687
H 1.764673 -0.600406 0.282655
H 2.644670 -1.565290 -1.660004
H 4.342269 -1.999296 -1.611658


