%chk=000050002.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050002

0 1
 O   0.8040000     -0.5321000      -1.742000    
 O  -0.7984000      -2.465700      0.2111000    
 O    4.709500       1.072400      0.1396000    
 N    2.734600      0.1879000       1.056900    
 N    2.904600      0.3479000      -1.168900    
 C    1.565400     -0.2943000      0.5410000    
 C   0.5245000     -0.7695000       1.232000    
 C    1.656200     -0.1973000     -0.9402000    
 C   -1.789900     -0.3394000      0.2709000    
 C  -0.7048000      -1.271300      0.5333000    
 C    3.589600      0.5959000      2.1000000E-02
 C   -1.676000      0.9932000      0.6670000    
 C   -2.944600     -0.7782000     -0.3767000    
 C   -2.717200       1.887000      0.4155000    
 C   -3.985600      0.1155000     -0.6284000    
 C   -3.871800       1.448000     -0.2322000    
 H   0.5249000     -0.8192000       2.315600    
 H    2.943600      0.2390000       2.046900    
 H    3.279600      0.5450000      -2.089800    
 H  -0.8015000       1.382900       1.178600    
 H   -3.057400      -1.811000     -0.6957000    
 H   -2.629900       2.924500      0.7249000    
 H   -4.884900     -0.2260000      -1.132800    
 H   -4.682500       2.143700     -0.4278000    


%chk=000050002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050002

0 1
O 0.505893 0.120376 -1.685971
O -1.115033 -2.599693 0.994456
O 4.806166 0.965232 0.070621
N 2.847463 -0.056132 0.979551
N 2.733416 0.726940 -1.111128
C 1.524209 -0.320075 0.561306
C 0.569126 -0.972620 1.291504
C 1.451926 0.184555 -0.868851
C -1.805305 -0.367672 0.374737
C -0.812213 -1.371044 0.856825
C 3.616112 0.591179 -0.007174
C -1.637178 1.024880 0.594915
C -2.981553 -0.837289 -0.270066
C -2.626870 1.934656 0.169162
C -3.963164 0.073139 -0.704660
C -3.788114 1.462095 -0.486071
H 0.859278 -1.400900 2.261207
H 3.238197 -0.281607 1.893171
H 3.023992 1.140555 -1.996795
H -0.744100 1.391235 1.113099
H -3.098036 -1.915547 -0.420648
H -2.496469 3.007850 0.345673
H -4.862312 -0.291848 -1.212626
H -4.553430 2.170634 -0.822440


