%chk=000108971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108971

0 1
 O   0.8273000      0.6760000     -0.6305000    
 O   -4.431200     -0.5160000      0.5130000    
 N    4.140500     -0.6601000      0.2691000    
 N    5.354400      2.0900000E-02  0.5884000    
 C    1.796800     -0.3347000     -0.3576000    
 C    3.122800      0.3350000     -3.3900000E-02
 C  -0.4710000      0.3814000     -0.3480000    
 C   -1.352700       1.398100      1.9200001E-02
 C  -0.9202000     -0.9370000     -0.4253000    
 C   -2.683300       1.096600      0.3092000    
 C   -2.251000      -1.238500     -0.1354000    
 C   -3.132400     -0.2216000      0.2318000    
 H    1.503300     -0.9465000      0.5062000    
 H    1.900000     -0.9768000      -1.240600    
 H    3.425100      0.9535000     -0.8892000    
 H    2.976600       1.022600      0.8101000    
 H   -1.008400       2.426800      8.1200004E-02
 H  -0.2745000      -1.753800     -0.7340000    
 H   -3.365300       1.893000      0.5944000    
 H   -2.590600      -2.268400     -0.2053000    
 H    3.851000      -1.223000       1.068300    
 H    5.247500      0.5065000       1.478600    
 H    6.089300     -0.6699000      0.7347000    
 H   -4.566900      -1.473500      0.4092000    


%chk=000108971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108971

0 1
O 0.801720 0.757259 0.178436
O -4.691291 -0.466093 -0.173688
N 4.249286 -0.602056 0.368633
N 5.557154 -0.122677 0.093202
C 1.833593 -0.287631 0.124082
C 3.187649 0.422476 0.248986
C -0.540983 0.348147 0.077443
C -1.502920 1.389178 0.137870
C -0.964754 -0.993929 -0.072182
C -2.874130 1.095604 0.052196
C -2.347010 -1.287544 -0.158076
C -3.299363 -0.247070 -0.095559
H 1.682787 -1.006773 0.959596
H 1.780120 -0.842582 -0.833200
H 3.398375 1.005936 -0.661021
H 3.145603 1.135931 1.104870
H -1.153965 2.419930 0.251778
H -0.243133 -1.813946 -0.126603
H -3.626202 1.888600 0.097115
H -2.670083 -2.330444 -0.274726
H 4.174202 -1.142146 1.246482
H 6.071712 0.346295 0.847707
H 6.105910 -0.746462 -0.497936
H -4.887176 -1.429405 -0.281806


