%chk=000000853.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000853

0 1
 I   0.1452000     -0.7053000      -3.237600    
 I   0.6345000      -2.538100       2.563500    
 I    6.593800     -0.2308000     -0.4170000    
 I    1.875300       3.328200       1.108400    
 O    1.438600      -1.802800     -0.4825000    
 O   -3.197300       2.168700     -0.5880000    
 O   -5.392500       1.841100      -1.056500    
 O    4.910600       2.360400      0.5429000    
 N   -5.691500      0.6274000       1.386600    
 C   -4.074700     -0.8502000      0.2832000    
 C   -4.372200      0.5797000      0.7603000    
 C   -2.599300      -1.106000      7.8000002E-02
 C   -1.840900      -1.582600       1.134400    
 C   -2.034500     -0.8577000      -1.162100    
 C   0.1051000      -1.572300     -0.2973000    
 C  -0.6726000      -1.092500      -1.351100    
 C  -0.4789000      -1.817300      0.9454000    
 C   -4.401300       1.571500     -0.3899000    
 C    2.309000     -0.7595000     -0.2264000    
 C    1.800300      0.4553000      0.2002000    
 C    3.668400     -0.9537000     -0.4012000    
 C    4.546000      9.8899998E-02 -0.1417000    
 C    2.678000       1.508000      0.4597000    
 C    4.050800       1.329800      0.2887000    
 H   -4.616900      -1.071400     -0.6465000    
 H   -4.443700      -1.582200       1.015400    
 H   -3.642100      0.9223000       1.502600    
 H   -2.308700      -1.766200       2.098500    
 H   -2.652500     -0.4861000      -1.975600    
 H   -5.706900      9.1000004E-03   2.197200    
 H   -6.393200      0.2599000      0.7443000    
 H   0.7429000      0.6439000      0.3486000    
 H    4.031900      -1.921300     -0.7372000    
 H   -3.227200       2.816600      -1.323900    
 H    5.817800       2.054900      0.3706000    


%chk=000000853-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000853

0 1
I 0.142169 -0.898339 -3.256649
I 0.617779 -2.443416 2.687806
I 6.696426 -0.229872 -0.530889
I 2.102472 3.634086 0.841628
O 1.442194 -1.761911 -0.389405
O -2.851727 2.061322 0.364744
O -4.542419 1.777426 -1.203891
O 5.040676 2.536252 0.293288
N -5.995046 0.683231 1.029251
C -4.249277 -1.018436 0.255636
C -4.569149 0.415930 0.851228
C -2.766189 -1.276344 0.068729
C -1.962629 -1.676147 1.166409
C -2.150114 -1.056324 -1.189208
C 0.055849 -1.566630 -0.230982
C -0.755979 -1.203366 -1.335367
C -0.568940 -1.819320 1.016857
C -4.023807 1.476235 -0.105467
C 2.307705 -0.647051 -0.206141
C 1.849849 0.639455 0.150023
C 3.678895 -0.908092 -0.399549
C 4.592288 0.147271 -0.234294
C 2.787034 1.678137 0.308243
C 4.177068 1.461800 0.120887
H -4.790745 -1.103659 -0.704458
H -4.689157 -1.750897 0.958285
H -4.047426 0.520052 1.817721
H -2.426500 -1.873634 2.137940
H -2.761615 -0.767796 -2.050043
H -6.473919 0.121353 1.734094
H -6.518604 0.828226 0.162420
H 0.784759 0.832020 0.300004
H 3.998897 -1.915895 -0.671856
H -2.513415 2.724894 -0.298380
H 5.983896 2.259138 0.135385


