%chk=000042588.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042588

0 1
 O   -3.786100     -0.7650000      0.5776000    
 O   0.3838000       4.627300     -0.6195000    
 O   -1.997300     -0.9981000     -0.8596000    
 O    2.721000      -1.859100      -1.386600    
 O    5.073700      -3.180800      -1.556600    
 N    1.942300     -0.4201000      0.8476000    
 N    4.722300      -2.464600     -0.4047000    
 C  -0.2256000     -1.1700000E-02   1.094700    
 C   0.3920000       1.161500      0.5781000    
 C   0.7529000     -0.9665000       1.249300    
 C    1.751800      0.8787000      0.4325000    
 C   -1.660400     -0.1766000       1.408600    
 C    3.217400      -1.107100      0.8573000    
 C  -7.6700002E-02   2.440900      0.2193000    
 C   -4.668700      -1.240800     -0.4438000    
 C    2.670000       1.815200     -5.5700000E-02
 C   0.6568000      -2.356100       1.745400    
 C   -2.466200     -0.6940000      0.2290000    
 C   0.8301000       3.387800     -0.2705000    
 C    2.181900       3.077600     -0.4052000    
 C   -4.237400      -2.652000     -0.8405000    
 C   -6.080700      -1.254000      0.1378000    
 C   -4.588200     -0.2906000      -1.637700    
 C    3.501100      -1.834700     -0.4382000    
 C   -1.009800       4.882900     -0.4586000    
 H   -1.795200     -0.8718000       2.244800    
 H   -2.089000      0.7860000       1.711500    
 H    3.232600      -1.817100       1.690800    
 H    4.008100     -0.3741000       1.048900    
 H   -1.136400       2.628100      0.3418000    
 H    3.723600       1.584200     -0.1695000    
 H    1.155800      -3.057300       1.068800    
 H  -0.3835000      -2.685600       1.828500    
 H    1.111400      -2.443700       2.737500    
 H    2.874000       3.823900     -0.7885000    
 H   -4.019800      -3.259700      4.5600001E-02
 H   -5.035700      -3.151900      -1.402100    
 H   -3.355400      -2.693500      -1.484500    
 H   -6.373900     -0.2509000      0.4683000    
 H   -6.129900      -1.898200       1.023300    
 H   -6.818400      -1.608200     -0.5895000    
 H   -3.686000     -0.3993000      -2.245000    
 H   -5.428100     -0.4628000      -2.321200    
 H   -4.631100      0.7546000      -1.309900    
 H    5.432100      -2.363900      0.3117000    
 H   -1.615600       4.237100      -1.103400    
 H   -1.312200       4.823300      0.5925000    
 H   -1.188500       5.913400     -0.7828000    
 H    4.785200      -4.072800      -1.299100    


%chk=000042588-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042588

0 1
O -3.129687 -0.493431 0.308355
O -0.491069 4.184130 -0.329930
O -2.324525 -2.695584 0.479115
O 4.978793 -2.161098 -0.665420
O 3.149010 -2.332351 -2.596377
N 2.099036 -0.571658 1.081548
N 2.832591 -1.736227 -1.330333
C -0.141134 -0.547388 1.557801
C 0.209355 0.723833 0.950333
C 1.023525 -1.323706 1.618275
C 1.612956 0.686425 0.664809
C -1.521169 -0.950260 2.028638
C 3.480964 -1.021350 0.949412
C -0.548729 1.882192 0.627721
C -3.993868 -0.748448 -0.932408
C 2.284020 1.779961 0.072724
C 1.227043 -2.718088 2.136909
C -2.359309 -1.505101 0.872407
C 0.127078 2.972973 0.042579
C 1.528374 2.924451 -0.232577
C -5.081310 -1.784536 -0.585155
C -4.597586 0.642418 -1.190680
C -3.090122 -1.198556 -2.096625
C 3.824810 -1.675565 -0.395089
C -1.922631 4.310036 -0.063524
H -1.457696 -1.740940 2.795257
H -2.041088 -0.081565 2.467488
H 3.721646 -1.755453 1.736941
H 4.170278 -0.169452 1.089758
H -1.625004 1.899416 0.818857
H 3.355000 1.753837 -0.154850
H 1.692071 -3.378115 1.379747
H 0.256565 -3.167423 2.398674
H 1.868651 -2.742357 3.039871
H 1.991501 3.801970 -0.693001
H -5.664094 -1.456084 0.293806
H -5.775577 -1.886167 -1.439392
H -4.636858 -2.769559 -0.373619
H -3.800388 1.378680 -1.395602
H -5.177141 0.984219 -0.315666
H -5.271235 0.602848 -2.065286
H -2.651887 -2.189521 -1.900878
H -3.690458 -1.255164 -3.023080
H -2.276872 -0.468876 -2.258165
H 1.886831 -1.358497 -1.289259
H -2.507035 3.548295 -0.618314
H -2.141329 4.220175 1.019031
H -2.196393 5.315535 -0.415947
H 4.118191 -2.588974 -2.450380


