%chk=000122679.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122679

0 1
 O   0.9911000      0.1690000     -0.3090000    
 O   -1.535800       1.742600     -0.5538000    
 O   -2.403200      0.6095000       1.214500    
 O    2.757200      -1.011700      0.5781000    
 N   -2.177300      -1.718800     -0.2995000    
 N    3.018000       1.147000     -0.1698000    
 C   -1.272300     -0.6064000     -0.5838000    
 C   0.1346000     -0.9494000     -0.1022000    
 C   -1.805400      0.6106000      0.1477000    
 C    2.293200      7.6000001E-03  7.7900000E-02
 H   -1.283000     -0.3996000      -1.659900    
 H   0.1269000      -1.190000      0.9689000    
 H   0.5228000      -1.812500     -0.6571000    
 H   -2.146200      -1.947600      0.6938000    
 H   -1.852200      -2.553700     -0.7862000    
 H   -1.874700       2.543400     -9.9500000E-02
 H    2.588500       1.966400     -0.5859000    
 H    4.005300       1.204700      5.5900000E-02


%chk=000122679-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122679

0 1
O 1.068325 0.202176 -0.240818
O -1.963135 1.700839 -0.695311
O -2.043287 0.666999 1.382568
O 2.903346 -1.088804 0.486054
N -2.180916 -1.692934 -0.369453
N 3.132961 1.153372 -0.183000
C -1.210089 -0.608485 -0.556251
C 0.184964 -0.960634 0.013237
C -1.767484 0.621813 0.163210
C 2.430998 -0.005263 0.063479
H -1.119600 -0.375329 -1.629139
H 0.127380 -1.149286 1.101368
H 0.592873 -1.856543 -0.488313
H -2.410276 -1.917886 0.600536
H -2.103432 -2.489689 -1.000636
H -2.344276 2.465488 -0.181581
H 2.654643 1.984206 -0.522382
H 4.134504 1.161059 -0.013468


