%chk=000043529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043529

1 1
 O   0.4055000      -1.048500     -0.2963000    
 O   -3.045200       1.315500      0.5670000    
 O   -1.780200      0.4590000      -1.161500    
 O  -0.1190000      -2.839100       1.070000    
 N    2.377300      0.9797000     -9.0499997E-02
 C   0.9718000       1.207600      0.3284000    
 C   0.3138000     -0.1000000      0.7673000    
 C    3.042100       2.298600     -0.5083000    
 C    3.196700      0.3749000       1.057600    
 C    2.441200      1.4800000E-02  -1.282400    
 C   -1.158100      5.6699999E-02   1.160200    
 C   -2.000000      0.6162000      3.1500001E-02
 C  -8.7399997E-02  -2.288400     -2.1199999E-02
 C  -0.6150000      -2.949900      -1.241800    
 C   -3.943400       1.902900     -0.3800000    
 H   0.4572000       1.655500     -0.5289000    
 H   0.9700000       1.936000       1.148300    
 H   0.8300000     -0.4999000       1.647500    
 H    2.999200       2.984600      0.3427000    
 H    4.081500       2.099900     -0.7859000    
 H    2.486100       2.704400      -1.358500    
 H    2.878800     -0.6532000       1.246400    
 H    4.249100      0.3697000      0.7559000    
 H    3.061800       1.001500       1.944000    
 H    1.617000      0.2258000      -1.970400    
 H    3.383500      0.2055000      -1.809300    
 H    2.492100      -1.022400     -0.9428000    
 H   -1.209500      0.7529000       2.006900    
 H   -1.623900     -0.8807000       1.476800    
 H   0.1532000      -2.961900      -2.019500    
 H   -1.505400      -2.423700      -1.593800    
 H  -0.8853000      -3.985000      -1.014000    
 H   -4.408800       1.125200     -0.9931000    
 H   -3.412400       2.624800      -1.007800    
 H   -4.725900       2.428100      0.1740000    


%chk=000043529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043529

1 1
O 0.096270 -0.929198 -0.217052
O -3.314162 0.850881 0.314084
O -1.549107 1.911979 -0.766204
O -0.252103 -2.518304 1.460588
N 2.509652 0.889716 -0.206846
C 1.094317 1.254937 0.310229
C 0.240972 0.098527 0.855430
C 3.339756 2.175542 -0.222548
C 3.199063 -0.135872 0.687542
C 2.423416 0.352062 -1.641046
C -1.156146 0.591410 1.297546
C -1.989321 1.189685 0.164645
C -0.228677 -2.248976 0.245410
C -0.530217 -3.164743 -0.909380
C -4.271492 1.428313 -0.675248
H 0.561405 1.758138 -0.514373
H 1.240198 1.980442 1.130646
H 0.709882 -0.387456 1.731766
H 3.512572 2.509430 0.811958
H 4.302382 1.974336 -0.716934
H 2.788570 2.948957 -0.778599
H 2.669875 -1.096176 0.616349
H 4.237544 -0.260302 0.343692
H 3.194379 0.224300 1.727883
H 2.050036 1.155996 -2.293590
H 3.429857 0.040557 -1.960818
H 1.720110 -0.490282 -1.654147
H -1.042426 1.364763 2.083423
H -1.706443 -0.243424 1.759931
H -0.052101 -2.827304 -1.841225
H -1.623266 -3.182153 -1.077167
H -0.218138 -4.191222 -0.662274
H -4.025892 1.066150 -1.686465
H -4.217293 2.528492 -0.650559
H -5.255070 1.067900 -0.348150


