%chk=000050482.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050482

0 1
 I   0.2158000       1.763900       1.763500    
 I   -3.839700      -2.447700     -1.5799999E-02
 I    1.974000      -3.647400     -0.4983000    
 O   -3.398900     -4.6000000E-02  -1.923000    
 O   -5.278900      0.4943000     -0.7745000    
 O    2.651100      0.3687000      -1.291700    
 N    2.131000     -0.6401000      0.7635000    
 C   -3.134700       1.321900      3.0300001E-02
 C   -2.681200      0.3927000       1.177200    
 C   -3.855500       2.561800      0.5910000    
 C   -1.567200     -0.5347000      0.7930000    
 C  -0.2371000     -0.1495000      0.9597000    
 C   -4.062600      0.5553000     -0.9029000    
 C   -4.353800       3.496700     -0.5042000    
 C   0.7788000      -1.023200      0.5974000    
 C   -1.868700      -1.790300      0.2653000    
 C    5.297400      0.9561000     -0.5203000    
 C    4.336800      0.2386000      0.4273000    
 C   0.4901000      -2.275100      7.1199998E-02
 C    6.680400       1.166300      0.1011000    
 C  -0.8400000      -2.660500     -9.5600002E-02
 C    2.946000      1.6300000E-02 -0.1546000    
 C    7.617100       1.881700     -0.8597000    
 H   -2.277700       1.673100     -0.5586000    
 H   -2.411000      0.9826000       2.058300    
 H   -3.540600     -0.1564000       1.578600    
 H   -3.169000       3.118900       1.239600    
 H   -4.707200       2.260200       1.213300    
 H   -5.143200       3.045200      -1.111000    
 H   -4.767500       4.406000     -5.5599999E-02
 H   -3.534800       3.793200      -1.167500    
 H    5.395600      0.3761000      -1.446500    
 H    4.871200       1.926700     -0.8037000    
 H    4.750300     -0.7403000      0.6989000    
 H    4.228500      0.8225000       1.349700    
 H    6.588500       1.754700       1.021300    
 H    7.114900      0.1982000      0.3756000    
 H   -1.075400      -3.639900     -0.5073000    
 H    2.475800     -0.7306000       1.716900    
 H    8.599100       2.022100     -0.3974000    
 H    7.224500       2.867300      -1.129500    
 H    7.753800       1.302600      -1.778600    
 H   -4.007800     -0.5303000      -2.520300    


%chk=000050482-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050482

0 1
I 0.094022 1.746125 1.807475
I -3.840270 -2.782595 -0.019326
I 2.087052 -3.840591 0.113112
O -2.844803 0.385674 -2.145141
O -5.016679 0.629108 -1.362957
O 2.802054 -0.677210 -1.211569
N 2.112228 -0.626999 1.021397
C -3.114413 1.411963 0.025797
C -2.854033 0.311840 1.119291
C -3.990440 2.546661 0.613567
C -1.695972 -0.628481 0.831195
C -0.341266 -0.237632 1.041915
C -3.787765 0.790430 -1.191843
C -4.205347 3.724650 -0.359724
C 0.781865 -1.080808 0.795525
C -1.877884 -1.958149 0.352272
C 5.162513 0.920809 -0.525816
C 4.431814 0.025299 0.497938
C 0.518481 -2.402139 0.344549
C 6.616382 1.232355 -0.107870
C -0.800279 -2.832256 0.106592
C 3.063057 -0.442228 -0.002246
C 7.344776 2.132784 -1.128813
H -2.144313 1.824180 -0.304033
H -2.650155 0.853087 2.061924
H -3.785417 -0.261817 1.269690
H -3.494215 2.912698 1.534207
H -4.970175 2.126564 0.911325
H -4.756727 3.401986 -1.260803
H -4.794284 4.526205 0.121335
H -3.240559 4.160318 -0.681335
H 5.147856 0.413490 -1.508298
H 4.600322 1.867070 -0.655621
H 5.037151 -0.886956 0.683698
H 4.338647 0.545484 1.472705
H 6.622097 1.722322 0.887744
H 7.174174 0.280417 0.009720
H -0.986028 -3.849199 -0.242314
H 2.345245 -0.269845 1.951468
H 8.384975 2.339064 -0.816862
H 6.826473 3.103460 -1.242774
H 7.378155 1.652883 -2.124781
H -3.310116 -0.058322 -2.906218


