%chk=000090234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090234

0 1
 O    2.934700      0.8726000     -0.6489000    
 O   -1.220900     -0.7403000      0.6066000    
 O    3.191900     -0.4246000       1.228900    
 O   0.3538000      -4.135400     -0.3539000    
 O  -0.2123000      -2.439200      -1.751600    
 N    1.474800     -0.7979000     -0.2859000    
 C    4.078900       1.639400     -0.2716000    
 C   0.8545000      -1.923000      0.3750000    
 C    5.286000      0.7059000     -0.1946000    
 C    4.291800       2.705900      -1.343800    
 C    3.804200       2.288100       1.084300    
 C  -0.2434000      -1.478100       1.329900    
 C    2.589500     -0.1456000      0.1974000    
 C   -2.281200     -0.3139000       1.450800    
 C   0.2888000      -2.823800     -0.7030000    
 C   -3.277600      0.4562000      0.6348000    
 C   -3.136100       1.832300      0.4949000    
 C   -4.333000     -0.2132000      2.5599999E-02
 C   -4.062000       2.548300     -0.2638000    
 C   -5.259000      0.5028000     -0.7332000    
 C   -5.123400       1.883600     -0.8778000    
 H    1.632100      -2.468500      0.9222000    
 H    6.217100       1.285200     -0.1910000    
 H    5.315700      2.9899999E-02  -1.057100    
 H    5.324700      8.4799998E-02  0.7038000    
 H    5.157100       3.339400      -1.123200    
 H    4.441900       2.244200      -2.326500    
 H    3.407300       3.346900      -1.435000    
 H    3.876200       1.608500       1.937100    
 H    4.530000       3.086400       1.280400    
 H    2.802200       2.732100       1.110300    
 H  -0.7156000      -2.352200       1.794100    
 H   0.1786000     -0.8433000       2.118200    
 H    1.061100     -0.4495000      -1.146100    
 H   -1.888400      0.3156000       2.259200    
 H   -2.765000      -1.182400       1.915300    
 H   -2.311600       2.359800      0.9668000    
 H   -4.446700      -1.288700      0.1298000    
 H   -3.956100       3.623200     -0.3772000    
 H   -6.085100     -1.4800000E-02  -1.212000    
 H   -5.844200       2.440900      -1.468900    
 H  -3.3000000E-02  -4.716500      -1.043100    


%chk=000090234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090234

0 1
O 3.178817 0.988546 -0.497230
O -1.214853 -0.830371 0.388711
O 3.063884 -0.563983 1.304242
O -0.293743 -3.752619 -0.843454
O 0.193940 -2.090309 -2.393909
N 1.631567 -0.662490 -0.534893
C 4.334138 1.790134 0.089550
C 0.933552 -1.844458 -0.043191
C 5.570872 0.879402 0.226373
C 4.544222 2.871181 -0.984599
C 3.898999 2.405349 1.434865
C -0.117699 -1.534916 1.048535
C 2.665992 -0.112645 0.191143
C -2.275621 -0.443385 1.316558
C 0.258549 -2.533131 -1.228734
C -3.393811 0.246897 0.553151
C -3.332303 0.424390 -0.849270
C -4.525664 0.720492 1.264072
C -4.392024 1.067908 -1.530389
C -5.582769 1.362423 0.583197
C -5.519235 1.538414 -0.819507
H 1.666503 -2.539367 0.409359
H 6.440120 1.484367 0.543433
H 5.813096 0.410953 -0.744200
H 5.397338 0.089048 0.973462
H 5.371405 3.540323 -0.687511
H 4.794793 2.409750 -1.955221
H 3.629361 3.475097 -1.111395
H 3.718443 1.620821 2.186454
H 4.694398 3.077208 1.806382
H 2.977706 3.000844 1.305462
H -0.476882 -2.484136 1.498358
H 0.354841 -0.908476 1.832129
H 1.348511 -0.256890 -1.429428
H -1.861375 0.237046 2.094915
H -2.666731 -1.347205 1.837858
H -2.456162 0.058347 -1.391524
H -4.582696 0.588646 2.352693
H -4.334942 1.201298 -2.616784
H -6.452155 1.724457 1.143691
H -6.338589 2.036830 -1.349704
H -0.765491 -4.164692 -1.616449


