%chk=000112023.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112023

0 1
 O    1.796500      -1.010600     -0.3562000    
 O    2.331500       1.050800      0.5298000    
 N   -2.237300     -6.4700000E-02  0.1602000    
 C   9.4099998E-02  0.6217000     -0.3301000    
 C  -0.8297000     -0.3504000      0.4142000    
 C  -0.1892000       2.085600      1.0900000E-02
 C    1.537900      0.2817000      3.3000000E-03
 C   -3.093200     -0.9798000      0.9171000    
 C   -2.532200     -0.1598000      -1.270500    
 C    3.121600      -1.474400     -7.8599997E-02
 H   1.7100001E-02  0.5035000      -1.417800    
 H  -0.5969000      -1.387600      0.1381000    
 H  -0.6285000     -0.2672000       1.491100    
 H   0.5327000       2.746900     -0.4819000    
 H  -0.1134000       2.263300       1.089600    
 H   -1.186900       2.394700     -0.3148000    
 H   -2.942600      -2.025300      0.6246000    
 H   -4.149700     -0.7289000      0.7707000    
 H   -2.897500     -0.8900000       1.991500    
 H   -2.214400      -1.117500      -1.698900    
 H   -2.078900      0.6547000      -1.842800    
 H   -3.611000     -6.0800001E-02  -1.442500    
 H    3.195000      -2.512900     -0.4121000    
 H    3.318300      -1.436300      0.9970000    
 H    3.855000     -0.8764000     -0.6278000    


%chk=000112023-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112023

0 1
O 2.271576 -0.559202 -0.801612
O 1.864839 -0.072220 1.438751
N -2.350109 -0.064566 0.016193
C 0.119587 0.395382 -0.253833
C -0.989827 -0.434950 0.460851
C -0.049100 1.908319 0.030981
C 1.475126 -0.082613 0.247607
C -3.387666 -0.443731 0.997036
C -2.672815 -0.544659 -1.342356
C 3.619021 -1.045494 -0.412253
H 0.084592 0.214069 -1.342165
H -0.787022 -1.526831 0.307457
H -0.909647 -0.238547 1.545922
H 0.650186 2.513543 -0.573220
H 0.137379 2.120493 1.099082
H -1.085503 2.199937 -0.209177
H -3.485248 -1.550122 1.139333
H -4.368725 -0.057598 0.665888
H -3.156247 0.007957 1.977652
H -2.662286 -1.661763 -1.426234
H -1.953637 -0.142063 -2.076251
H -3.678256 -0.189123 -1.629930
H 4.080748 -1.376838 -1.352835
H 3.531800 -1.878617 0.305370
H 4.199536 -0.230462 0.051841


