%chk=000057638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057638

0 1
 I    2.109900      -2.849800       1.202000    
 I    2.526800       3.083300     -0.1656000    
 O    3.388200      3.2400001E-02  0.4778000    
 O   -2.739000       1.562700      0.9446000    
 O   -4.037600     -0.1699000      -1.912100    
 O   -6.174800     -0.3895000      -1.182400    
 N   -2.939700     -0.6828000      0.4023000    
 C    3.963000     -0.2982000     -0.7830000    
 C    5.473100     -0.3901000     -0.6261000    
 C    2.027500      0.1396000      0.5277000    
 C  -0.7518000      0.3585000      0.6293000    
 C    1.250000     -0.9802000      0.8235000    
 C    1.415400       1.368600      0.2826000    
 C  -0.1396000     -0.8706000      0.8743000    
 C   2.5800001E-02   1.478100      0.3334000    
 C    6.158000     -0.7259000      -1.938800    
 C   -2.200800      0.4727000      0.6817000    
 C   -4.384300     -0.7240000      0.3913000    
 C   -4.970000     -0.4150000     -0.9624000    
 H    3.713300      0.4652000      -1.528100    
 H    3.568600      -1.254100      -1.145200    
 H    5.860900      0.5589000     -0.2369000    
 H    5.719200      -1.148200      0.1270000    
 H  -0.7263000      -1.746300       1.139000    
 H  -0.4550000       2.434200      0.1378000    
 H    5.956500      4.0700000E-02  -2.693800    
 H    7.241500     -0.7861000      -1.796700    
 H    5.812200      -1.689600      -2.326200    
 H   -2.466300      -1.530800      0.1098000    
 H   -4.770500      2.4000001E-03   1.112200    
 H   -4.681600      -1.736500      0.6781000    
 H   -4.443500      2.7799999E-02  -2.783100    


%chk=000057638-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057638

0 1
I 1.829277 -3.154288 -0.093698
I 2.947342 2.789640 1.089266
O 3.438673 -0.372851 0.454962
O -2.601699 1.877875 1.044321
O -4.576200 -1.952793 -1.142909
O -6.611740 -0.914948 -0.697241
N -3.099415 -0.145356 0.041259
C 4.165405 -0.240626 -0.850058
C 5.642469 -0.505857 -0.563240
C 2.070529 -0.107977 0.425186
C -0.740436 0.408705 0.499438
C 1.122708 -1.149072 0.219915
C 1.564912 1.196030 0.694287
C -0.263922 -0.904121 0.255251
C 0.184667 1.455023 0.734952
C 6.492374 -0.415841 -1.850053
C -2.203688 0.771700 0.556385
C -4.532496 0.142592 0.075508
C -5.370063 -0.923105 -0.606093
H 4.005315 0.782851 -1.243156
H 3.748252 -0.980334 -1.562181
H 5.995470 0.227838 0.184808
H 5.741568 -1.507620 -0.105840
H -0.951774 -1.745595 0.128106
H -0.212146 2.450394 0.954116
H 6.421002 0.586506 -2.312405
H 7.556559 -0.606725 -1.626024
H 6.168141 -1.160392 -2.601116
H -2.805892 -0.998003 -0.437205
H -4.750864 1.116668 -0.405315
H -4.892528 0.249175 1.117495
H -5.152700 -2.631991 -1.584723


