%chk=000018026.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018026

0 1
 O  -8.5900001E-02  0.5872000       2.711600    
 O   -1.103900       2.819500     -0.1629000    
 O   -3.057300      -2.333600     -0.3148000    
 N    1.818600      0.1667000     -0.4368000    
 C    2.935600     -0.6936000     -0.8404000    
 C    1.499800     -3.4899998E-02  0.9665000    
 C   0.2717000      0.8225000       1.346900    
 C    2.779400      -1.031700      -2.326800    
 C    4.245700      6.6799998E-02 -0.6090000    
 C    2.917000      -1.978000     -3.1999999E-03
 C    2.741000      0.3188000       1.788100    
 C  -0.9582000      0.5257000      0.5157000    
 C   -1.576300       1.542000     -0.1925000    
 C   -1.439100     -0.7727000      0.4862000    
 C   -2.571900      -1.062800     -0.2743000    
 C   -2.709100       1.251600     -0.9531000    
 C   -3.206800     -5.0799999E-02 -0.9939000    
 C  -0.1407000       3.177200      -1.152000    
 C   -2.359700      -3.319900      0.4445000    
 H    1.209500      -1.057900       1.224400    
 H    1.000600     -5.5000000E-02  -1.003000    
 H   0.5532000       1.879400       1.294300    
 H    2.778000     -0.1251000      -2.943600    
 H    3.599400      -1.668500      -2.678300    
 H    1.843400      -1.568900      -2.520900    
 H    4.726800     -8.9900002E-02  0.3568000    
 H    4.131100       1.144700     -0.7773000    
 H    4.998100     -0.2651000      -1.337300    
 H    3.185500      -1.978000       1.048800    
 H    1.964100      -2.513800     -0.1169000    
 H    3.659800      -2.664300     -0.4379000    
 H    3.542100     -0.4038000       1.904100    
 H    3.162400       1.286100       1.486400    
 H    2.426700      0.4816000       2.828700    
 H  -0.9258000      -1.522800       1.075400    
 H  -0.8963000       1.089900       2.902900    
 H   -3.209300       2.035200      -1.515700    
 H   -4.089600     -0.2707000      -1.588000    
 H  -8.0100000E-02   4.268600      -1.187200    
 H  -0.4343000       2.814900      -2.142800    
 H   0.8452000       2.787600     -0.8879000    
 H   -1.334200      -3.455600      8.3800003E-02
 H   -2.879500      -4.271500      0.2923000    
 H   -2.398500      -3.103500       1.517500    


%chk=000018026-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018026

0 1
O -0.101968 0.401962 2.894613
O -0.924945 2.766900 -0.303694
O -3.258562 -2.371562 -0.296875
N 1.837320 0.112097 -0.257054
C 2.979919 -0.639649 -0.891639
C 1.555370 -0.007360 1.201607
C 0.243071 0.780269 1.502533
C 2.619942 -0.745388 -2.397814
C 4.301960 0.163559 -0.767606
C 3.164771 -2.073630 -0.314336
C 2.683224 0.545399 2.095196
C -0.914293 0.460962 0.564565
C -1.435009 1.441516 -0.318769
C -1.516140 -0.825898 0.600054
C -2.602843 -1.129491 -0.249961
C -2.532255 1.133958 -1.161765
C -3.114199 -0.144285 -1.135148
C 0.142516 3.030742 -1.296469
C -2.775731 -3.420931 0.603063
H 1.354380 -1.062838 1.508805
H 0.972633 -0.124592 -0.769436
H 0.456188 1.865775 1.441311
H 2.446084 0.260994 -2.821150
H 3.440075 -1.222786 -2.962349
H 1.704731 -1.350741 -2.548175
H 4.642726 0.245388 0.276907
H 4.155328 1.185087 -1.160466
H 5.104329 -0.329004 -1.348806
H 3.431309 -2.051822 0.757740
H 2.236999 -2.666210 -0.428010
H 3.976252 -2.601061 -0.849170
H 3.566339 -0.115978 2.105399
H 2.998223 1.543161 1.739213
H 2.311094 0.630509 3.130073
H -1.124994 -1.555997 1.315299
H -0.929023 0.885034 3.146940
H -2.931146 1.915737 -1.816649
H -3.966218 -0.399616 -1.772284
H 0.410507 4.090779 -1.165374
H -0.234094 2.865596 -2.325860
H 1.016732 2.377617 -1.103763
H -1.718796 -3.677573 0.392673
H -3.416397 -4.291718 0.400621
H -2.877212 -3.121309 1.664411


