%chk=000097577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097577

0 1
 O   -1.415800     -0.5402000       1.038800    
 O   -1.204700       2.335200      -1.091800    
 O   -3.415700       1.564800      0.3044000    
 O   -2.376200      -3.066200      0.2864000    
 O    1.533900       2.349500      0.7084000    
 N   0.7018000      0.2056000      0.2785000    
 N    4.641700      -1.035900     -0.4342000    
 C   -1.350900      0.9617000     -0.7920000    
 C   -2.792500      0.5842000     -0.5246000    
 C  -0.6716000      0.5732000      0.5117000    
 C   -2.641500     -0.6919000      0.2908000    
 C   -2.522400      -1.944700     -0.5669000    
 C    1.719400       1.172100      0.4050000    
 C    1.020500      -1.104000     -7.1699999E-02
 C    3.116400      0.7065000      0.1463000    
 C    2.276900      -1.501700     -0.2997000    
 C    3.380900     -0.5682000     -0.1894000    
 H  -0.9706000      0.3803000      -1.640800    
 H   -3.397500      0.4794000      -1.428800    
 H  -0.7086000       1.387900       1.244600    
 H   -3.446000     -0.8164000       1.024600    
 H   -1.666600      -1.912100      -1.245400    
 H   -3.430500      -2.083000      -1.162700    
 H  -0.2533000       2.515900      -1.176900    
 H   -2.951200       1.600200       1.157100    
 H   0.2176000      -1.821100     -0.1534000    
 H    3.905300       1.445800      0.2425000    
 H    2.482600      -2.533100     -0.5676000    
 H   -2.314300      -3.852800     -0.2819000    
 H    5.434200     -0.4094000     -0.3652000    
 H    4.785900      -2.006500     -0.6834000    


%chk=000097577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097577

0 1
O -1.392346 -0.714810 1.038106
O -1.367376 2.538116 -0.533947
O -3.522573 1.469676 0.558694
O -2.306277 -3.167981 -0.093803
O 1.224640 2.289381 -0.141774
N 0.767333 0.021796 0.280819
N 4.759272 -1.029643 -0.442153
C -1.382900 1.092962 -0.584370
C -2.839190 0.596991 -0.383807
C -0.630627 0.447072 0.621819
C -2.657003 -0.798532 0.242766
C -2.573033 -1.913172 -0.806022
C 1.676015 1.078127 -0.060592
C 1.162696 -1.296604 0.371744
C 3.031406 0.685392 -0.292509
C 2.472159 -1.670510 0.128208
C 3.445222 -0.658622 -0.208480
H -0.962688 0.707915 -1.536287
H -3.391215 0.558581 -1.345411
H -0.565255 1.174647 1.453440
H -3.456560 -1.017952 0.968456
H -1.769176 -1.697864 -1.543738
H -3.546060 -1.953292 -1.342440
H -0.385232 2.767109 -0.385646
H -3.086766 2.364531 0.453078
H 0.374901 -1.999946 0.655028
H 3.730040 1.486629 -0.548581
H 2.754458 -2.723477 0.208818
H -2.388623 -3.926426 -0.724617
H 5.464296 -0.333288 -0.668557
H 5.047659 -2.001707 -0.375542


