%chk=000048851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048851

0 1
 I   0.3368000      -2.760500      -1.140900    
 I   0.8847000       3.248800     -0.2090000    
 I   -4.603600      0.5893000      0.1449000    
 O    2.475700     -0.2132000       1.323700    
 O   -2.347900       3.135000       1.533600    
 O   -2.753600       3.681700     -0.6352000    
 O   -2.713800      -2.757800       1.654600    
 N    1.629700      0.1757000     -0.8316000    
 N   -2.722700      -1.933100     -0.5522000    
 C    5.145600     -0.3405000      0.4304000    
 C    3.996000     -8.4899999E-02 -0.5434000    
 C    6.507200     -0.3629000     -0.2684000    
 C   0.2345000      0.2695000     -0.6142000    
 C    2.622100     -6.1299998E-02  0.1155000    
 C   -1.923300     -0.7831000     -0.4765000    
 C  -0.5482000     -0.8747000     -0.6919000    
 C  -0.3325000       1.503500     -0.3250000    
 C    7.634000     -0.6191000      0.7202000    
 C   -1.707700       1.595000     -0.1097000    
 C   -2.503100      0.4518000     -0.1856000    
 C   -2.315400       2.890500      0.1985000    
 C   -3.054600      -2.816300      0.4776000    
 C   -3.939800      -3.933500     -1.5400000E-02
 H    4.981200      -1.296100      0.9443000    
 H    5.144300      0.4353000       1.206400    
 H    4.146800      0.8783000      -1.046100    
 H    3.988600     -0.8657000      -1.313900    
 H    6.517000      -1.143800      -1.037400    
 H    6.680800      0.5940000     -0.7739000    
 H    1.897500      0.1399000      -1.812800    
 H    8.597600     -0.6313000      0.2015000    
 H    7.505100      -1.584300       1.220400    
 H    7.669800      0.1628000       1.485400    
 H   -2.998200      -2.192300      -1.497000    
 H   -4.809100      -3.522000     -0.5361000    
 H   -4.287600      -4.531200      0.8317000    
 H   -3.374800      -4.574700     -0.6976000    
 H   -2.756200       4.003600       1.736700    


%chk=000048851-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048851

0 1
I 0.543082 -2.679451 -1.243004
I 0.703914 3.425612 -0.469603
I -4.612058 0.417776 0.082685
O 2.430067 0.768393 1.128545
O -2.493318 3.144456 1.511139
O -2.964927 3.643434 -0.712531
O -3.009926 -2.224521 1.732921
N 1.699129 0.346787 -1.050337
N -2.570014 -2.086079 -0.559983
C 5.040202 -0.419775 0.301169
C 4.130278 0.431480 -0.616144
C 6.524429 -0.365334 -0.122902
C 0.304116 0.369065 -0.761679
C 2.702550 0.528637 -0.076783
C -1.851687 -0.857228 -0.517141
C -0.457989 -0.829528 -0.794854
C -0.372192 1.577313 -0.436840
C 7.428597 -1.232714 0.779109
C -1.757149 1.582057 -0.141522
C -2.492435 0.373451 -0.205402
C -2.466087 2.885959 0.144877
C -3.091719 -2.727627 0.583203
C -3.783802 -4.053905 0.291021
H 4.689355 -1.471561 0.295545
H 4.926806 -0.055413 1.339248
H 4.530317 1.465072 -0.662725
H 4.144789 0.035563 -1.651082
H 6.624149 -0.697983 -1.176780
H 6.872296 0.687679 -0.093451
H 1.990496 0.028017 -1.977570
H 8.487043 -1.174159 0.465969
H 7.123229 -2.295427 0.743227
H 7.367969 -0.902797 1.832978
H -2.550827 -2.614863 -1.435310
H -4.870363 -3.882783 0.179234
H -3.636148 -4.726079 1.150263
H -3.413477 -4.546685 -0.625307
H -2.965797 4.005561 1.681414


