%chk=000125464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125464

0 1
 O   -4.197800       1.819700     -0.5018000    
 O   -1.988600       3.222000     -0.9940000    
 O    3.382300      -2.625300     -0.5145000    
 N   0.7620000     -0.4866000      1.1900000E-02
 N    3.212600      -1.261100      -2.350000    
 C   -1.694100     -0.7103000      0.1660000    
 C  -0.4724000      9.6900001E-02 -0.1177000    
 C   -2.976400     -0.1433000      4.1000001E-02
 C    1.953500      0.1469000      0.3619000    
 C  -0.5834000       1.382100     -0.4969000    
 C   -1.631900      -2.058000      0.5673000    
 C   -3.119100       1.262500     -0.3731000    
 C   -4.139900     -0.8816000      0.3013000    
 C   -1.882000       2.054800     -0.6512000    
 C    3.195500     -0.3134000     -0.1055000    
 C   -2.790800      -2.798300      0.8292000    
 C    1.924400       1.272800       1.200400    
 C   -4.043000      -2.211100      0.6958000    
 C    4.376300      0.3352000      0.2562000    
 C    3.105200       1.921600       1.561900    
 C    4.331100       1.452700       1.089900    
 C    3.276700      -1.478000     -0.9781000    
 H   0.8248000      -1.472900     -0.2094000    
 H   0.2729000       1.996000     -0.7576000    
 H  -0.6804000      -2.567600      0.6966000    
 H   -5.125800     -0.4355000      0.2020000    
 H   -2.709000      -3.836200       1.139600    
 H   0.9982000       1.646100       1.629800    
 H   -4.940500      -2.787200      0.8996000    
 H    5.338100     -2.0700000E-02 -0.1042000    
 H    3.071600       2.785300       2.219600    
 H    5.250600       1.956100       1.373500    
 H    3.117900     -0.3308000      -2.744800    
 H    3.257600      -2.035800      -3.003400    


%chk=000125464-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125464

0 1
O -4.614740 1.757342 0.072040
O -2.444152 3.536293 -0.286727
O 1.875528 -2.310254 -0.903917
N 0.628655 -0.198193 0.025792
N 4.000902 -2.004837 -1.732714
C -1.773477 -0.620510 0.153914
C -0.650447 0.355232 0.033858
C -3.120703 -0.140588 0.144391
C 1.881694 0.404423 0.237878
C -0.901717 1.716606 -0.102957
C -1.555498 -2.017798 0.288313
C -3.430363 1.321218 0.038767
C -4.202701 -1.046832 0.255593
C -2.235671 2.290419 -0.121962
C 3.061130 -0.282939 -0.234155
C -2.642790 -2.912868 0.389237
C 2.042245 1.619831 0.964123
C -3.972176 -2.431508 0.372318
C 4.338568 0.272049 0.045401
C 3.320535 2.148660 1.209766
C 4.481259 1.481633 0.747825
C 2.936519 -1.582380 -0.966265
H 0.740576 -1.195531 -0.264513
H -0.088253 2.425570 -0.275049
H -0.544724 -2.434996 0.325748
H -5.216300 -0.632484 0.250747
H -2.448065 -3.986293 0.485202
H 1.165419 2.123005 1.376088
H -4.812941 -3.127821 0.454683
H 5.243807 -0.269848 -0.251816
H 3.413290 3.076529 1.784108
H 5.475833 1.887865 0.954701
H 4.812701 -1.421788 -1.920304
H 3.912257 -2.902207 -2.208814


