%chk=000115739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115739

0 1
 O    1.813100     -0.5412000      -1.076800    
 O    1.861700       1.282200       1.904500    
 O    2.293600      -2.659200     -0.3640000    
 N    2.153500     -0.8718000       1.092600    
 C    1.653500      0.7523000     -0.4631000    
 C   0.2346000       1.244700     -0.6996000    
 C  -0.7990000      0.2248000     -0.2223000    
 C   -2.225400      0.7383000     -0.4315000    
 C   -3.257400     -0.2684000      8.2099997E-02
 C    2.703700       1.701500      -1.019500    
 C    1.895800      0.4644000      0.9983000    
 C   -4.702400      0.2076000     -8.1699997E-02
 C    2.107300      -1.475000     -0.1226000    
 C   -5.732700     -0.8001000      0.4037000    
 H   7.9200000E-02   1.417000      -1.772300    
 H   7.4500002E-02   2.201600     -0.1875000    
 H  -0.6853000     -0.7204000     -0.7657000    
 H  -0.6646000      8.2000000E-03  0.8434000    
 H   -2.397600      0.9296000      -1.497400    
 H   -2.355000       1.692000      9.4200000E-02
 H   -3.068400     -0.4735000       1.143100    
 H   -3.130500      -1.218800     -0.4511000    
 H    2.630800       2.694300     -0.5635000    
 H    3.714700       1.319700     -0.8354000    
 H    2.600300       1.805000      -2.105200    
 H   -4.839400       1.146900      0.4671000    
 H   -4.894400      0.4267000      -1.138900    
 H    2.353700      -1.353100       1.961700    
 H   -6.744600     -0.4077000      0.2630000    
 H   -5.595300      -1.016500       1.467800    
 H   -5.650800      -1.740000     -0.1513000    


%chk=000115739-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115739

0 1
O 1.908041 -0.564744 -1.150465
O 1.973241 1.234341 1.997052
O 2.529748 -2.727187 -0.481410
N 2.341130 -0.915209 1.055981
C 1.699273 0.767069 -0.454226
C 0.233380 1.207836 -0.657297
C -0.826975 0.219191 -0.127124
C -2.266381 0.704359 -0.411372
C -3.345743 -0.261747 0.125931
C 2.713746 1.766242 -1.029751
C 2.007586 0.444984 1.027565
C -4.787602 0.213597 -0.164238
C 2.288013 -1.542824 -0.216128
C -5.860566 -0.754021 0.379815
H 0.082651 1.374647 -1.741411
H 0.117609 2.187686 -0.153787
H -0.676543 -0.772519 -0.596611
H -0.703094 0.085707 0.967057
H -2.401597 0.831913 -1.505840
H -2.414560 1.707223 0.041100
H -3.216048 -0.385465 1.221498
H -3.194940 -1.266722 -0.320532
H 2.636710 2.724009 -0.486988
H 3.745973 1.389115 -0.931783
H 2.503801 1.938497 -2.098615
H -4.935963 1.219571 0.279071
H -4.918165 0.334066 -1.259158
H 2.601368 -1.429410 1.898601
H -6.881657 -0.391821 0.160129
H -5.771474 -0.868854 1.476657
H -5.753764 -1.758427 -0.071622


