%chk=000049807.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049807

0 1
 I   0.5961000      -2.901800      0.7822000    
 I    1.361700       3.134100      0.2992000    
 I   -4.218000      0.7138000     -0.2375000    
 O    2.825900     -0.3055000      -1.482300    
 O   -2.989500      -2.365500       1.319400    
 O   -1.872200       3.272100      -1.437500    
 O   -2.254000       3.666900      0.7682000    
 N    1.993900     -1.6000000E-03  0.6920000    
 N   -2.695400      -2.577800     -0.9708000    
 C   0.6036000      0.1587000      0.4816000    
 C    4.350000     -0.3271000      0.3861000    
 C   -1.591800     -0.8005000      0.2726000    
 C    5.491500     -0.5530000     -0.6027000    
 C  -0.2211000     -0.9584000      0.4769000    
 C   8.2599998E-02   1.430800      0.2857000    
 C   -1.288200       1.588500      8.1299998E-02
 C    2.979700     -0.2055000     -0.2696000    
 C   -2.125400      0.4729000      7.4800000E-02
 C    6.844800     -0.6691000      8.4500000E-02
 C   -2.470600      -1.971300      0.2656000    
 C   -1.847800       2.925300     -0.1251000    
 C   -3.555900      -3.725900      -1.144500    
 H    4.535700      0.5918000      0.9557000    
 H    4.310900      -1.159100       1.099700    
 H    5.303300      -1.465600      -1.180900    
 H    5.524100      0.2732000      -1.323100    
 H    2.299400      0.2111000       1.639200    
 H    7.080100      0.2439000      0.6405000    
 H    7.634000     -0.8302000     -0.6564000    
 H    6.856600      -1.510900      0.7840000    
 H   -2.262200      -2.180600      -1.799600    
 H   -3.590000      -4.323800     -0.2305000    
 H   -3.168700      -4.326300      -1.970900    
 H   -4.559500      -3.368300      -1.387800    
 H   -2.247200       4.168500      -1.572200    


%chk=000049807-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049807

0 1
I 0.481787 -2.788706 1.186124
I 1.358333 3.252474 0.417738
I -4.220147 0.809951 -0.498316
O 2.506548 -1.020634 -1.094630
O -3.268237 -2.269359 1.219004
O -1.861343 3.451609 -1.473491
O -2.318442 3.843630 0.774742
N 2.001896 0.106497 0.886595
N -2.526657 -2.628636 -0.970904
C 0.611635 0.255145 0.621495
C 4.341467 -0.574704 0.487353
C -1.632584 -0.729409 0.252554
C 5.360848 -0.445887 -0.667476
C -0.264510 -0.865478 0.594827
C 0.057926 1.540432 0.370837
C -1.315260 1.714116 0.078866
C 2.893869 -0.522625 -0.003419
C -2.143148 0.567280 -0.000218
C 6.809011 -0.683407 -0.192742
C -2.552885 -1.945805 0.226677
C -1.885559 3.096671 -0.125209
C -3.318520 -3.842432 -1.202131
H 4.528008 0.200867 1.256969
H 4.482059 -1.556028 0.986845
H 5.086823 -1.171634 -1.454234
H 5.271420 0.558720 -1.124244
H 2.394744 0.601549 1.691100
H 7.106049 0.045221 0.585396
H 7.521268 -0.587048 -1.031871
H 6.926228 -1.697812 0.233580
H -1.891733 -2.301265 -1.702078
H -3.958018 -3.999256 -0.319257
H -2.664793 -4.724941 -1.331033
H -3.957000 -3.730439 -2.096605
H -2.244683 4.365142 -1.585044


