%chk=000057938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057938

0 1
 O   -1.408800      7.1099997E-02  -1.392800    
 O   0.7514000      -2.276600      0.4025000    
 O    4.738100     -6.7199998E-02 -0.4746000    
 N   -3.896700      0.7205000     -0.3660000    
 N  -0.5703000      2.7799999E-02  0.7757000    
 N    2.833000       1.176300      6.6999998E-03
 N    2.769500      -1.204300     -4.2800002E-02
 C   -2.963600     -3.4499999E-02  0.4679000    
 C   -3.428000      -1.483000      0.6798000    
 C   -1.580500      2.9700000E-02 -0.1756000    
 C   0.7617000      7.9000004E-02  0.4640000    
 C    1.470400       1.215900      0.3284000    
 C   -3.579700      -2.295700     -0.6016000    
 C    1.412400      -1.245800      0.2751000    
 C   -3.472800       2.116400     -0.4738000    
 C   -5.251700      0.6393000      0.1789000    
 C    3.535500     -2.8400000E-02 -0.1910000    
 C   0.8491000       2.585800      0.5119000    
 C    3.559000       2.442800     -0.1302000    
 C    3.471800      -2.469000     -0.2424000    
 H   -2.900200      0.4359000       1.460400    
 H   -2.678000      -1.995000       1.298000    
 H   -4.353800      -1.531900       1.263700    
 H  -0.7983000     -0.2913000       1.714000    
 H   -4.317600      -1.859400      -1.280600    
 H   -3.912600      -3.310300     -0.3584000    
 H   -2.628600      -2.383400      -1.135200    
 H   -3.399800       2.601700      0.5069000    
 H   -4.195500       2.684600      -1.071800    
 H   -2.516400       2.240100     -0.9903000    
 H   -5.691800     -0.3549000      5.7200000E-02
 H   -5.923200       1.309200     -0.3724000    
 H   -5.295900      0.9265000       1.235900    
 H   0.9026000       3.166700     -0.4144000    
 H    1.344800       3.137600       1.317000    
 H  -0.2099000       2.534700      0.7849000    
 H    3.541300       2.982700      0.8211000    
 H    3.110400       3.042500     -0.9276000    
 H    4.607000       2.274800     -0.3943000    
 H    3.892000      -2.482300      -1.253300    
 H    2.817700      -3.334300     -0.1127000    
 H    4.297400      -2.529800      0.4740000    


%chk=000057938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057938

0 1
O -1.391195 0.964449 -1.137067
O 0.893786 -2.177534 1.470065
O 4.795301 -0.291413 -0.328657
N -4.077823 0.848114 0.050939
N -0.597808 0.038999 0.863139
N 2.837672 1.013236 -0.252407
N 2.863307 -1.230368 0.589729
C -3.011633 -0.097695 0.438162
C -3.235346 -1.539006 -0.127626
C -1.618406 0.382340 -0.039710
C 0.792492 0.052648 0.573481
C 1.479016 1.153233 0.081962
C -3.391607 -1.597402 -1.660881
C 1.480607 -1.194998 0.908776
C -3.819115 2.230756 0.505432
C -5.429690 0.394122 0.432732
C 3.573982 -0.177732 -0.020806
C 0.838107 2.506577 -0.076180
C 3.584405 2.126158 -0.883752
C 3.632948 -2.462038 0.877442
H -2.959916 -0.193184 1.560908
H -2.376041 -2.163799 0.187386
H -4.124303 -1.976882 0.364571
H -0.846573 -0.619134 1.612757
H -4.236233 -0.972080 -1.997256
H -3.565952 -2.638183 -1.990235
H -2.488673 -1.216900 -2.168223
H -3.761411 2.327434 1.620537
H -4.632391 2.887073 0.149063
H -2.877437 2.597585 0.065998
H -5.687690 -0.547106 -0.079687
H -6.163006 1.156636 0.116789
H -5.552436 0.236024 1.535552
H 0.438257 2.643845 -1.096497
H 1.543312 3.322145 0.154733
H -0.023190 2.577927 0.606987
H 3.802885 2.925745 -0.153856
H 3.007704 2.542098 -1.724977
H 4.536680 1.715965 -1.249684
H 4.047928 -2.872585 -0.057324
H 2.940809 -3.178067 1.343284
H 4.470075 -2.232504 1.556601


