%chk=000093733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093733

0 1
 O    2.901700      -1.261400      0.7742000    
 O    2.864900       1.306500      0.7544000    
 O    2.915200      -2.405200      -1.223500    
 O    2.853500       2.408600      -1.266700    
 O   -4.040100      -1.726900     -0.9241000    
 O   -4.092100       1.665600     -0.9068000    
 O   -3.879300      -1.735300       1.265200    
 O   -3.917100       1.721100       1.280700    
 N   -3.353400      -1.745300      0.1260000    
 N   -3.398800       1.713500      0.1380000    
 C    4.789700      3.0200001E-02  7.2200000E-02
 C    4.322200      -1.228800      0.7836000    
 C    4.286000       1.291400      0.7563000    
 C   0.8436000      -1.847200     -0.1831000    
 C   0.7949000       1.849800     -0.2015000    
 C    2.324000      -1.882700     -0.2914000    
 C    2.274100       1.898500     -0.3204000    
 C   5.9599999E-02  -1.825400      -1.336600    
 C   3.5000001E-03   1.797100      -1.349000    
 C   0.2369000      -1.835100       1.072800    
 C   0.1966000       1.857600       1.058600    
 C   -1.937600      -1.779100      2.1800000E-02
 C   -1.984200       1.760000      2.3600001E-02
 C   -1.331100      -1.791300      -1.234200    
 C   -1.385900       1.752200      -1.236500    
 C   -1.153700      -1.801100       1.175300    
 C   -1.193000       1.812800       1.171100    
 H    4.431600      1.5000000E-02 -0.9638000    
 H    5.884700      4.5400001E-02  4.6500001E-02
 H    4.754000      -2.126100      0.3250000    
 H    4.646700      -1.220400       1.829800    
 H    4.701000       2.187900      0.2806000    
 H    4.613300       1.312400       1.801700    
 H   0.5178000      -1.829600      -2.322100    
 H   0.4551000       1.785700      -2.337400    
 H   0.8229000      -1.861500       1.987600    
 H   0.7883000       1.908200       1.968700    
 H   -1.909900      -1.772700      -2.154000    
 H   -1.970700       1.709300      -2.151800    
 H   -1.592000      -1.793400       2.170000    
 H   -1.624700       1.821000       2.168600    


%chk=000093733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093733

0 1
O 2.857994 -1.520455 0.805306
O 2.834713 1.579542 0.787216
O 2.981239 -2.443562 -1.335105
O 2.926120 2.465197 -1.370421
O -3.932922 -3.764771 -0.843250
O -4.003151 3.689121 -0.845304
O -3.935226 -2.910811 1.272296
O -3.978393 2.860539 1.280160
N -3.345679 -3.217272 0.166467
N -3.400894 3.162901 0.166867
C 4.677187 0.038520 0.012034
C 4.327114 -1.258452 0.755058
C 4.307936 1.343609 0.731013
C 0.842439 -2.384186 -0.162328
C 0.797398 2.390731 -0.180396
C 2.308681 -2.133442 -0.321162
C 2.266395 2.161504 -0.346144
C 0.154562 -2.991301 -1.245147
C 0.092678 2.972453 -1.266317
C 0.146275 -2.045236 1.027040
C 0.114766 2.056585 1.018141
C -1.890628 -2.922703 0.048913
C -1.942314 2.889093 0.042854
C -1.221691 -3.264445 -1.146822
C -1.286967 3.225472 -1.161897
C -1.230178 -2.316110 1.139590
C -1.265054 2.307112 1.136646
H 4.253010 0.025544 -1.006458
H 5.779747 0.045799 -0.114327
H 4.811998 -2.119102 0.261180
H 4.616094 -1.215524 1.818380
H 4.773197 2.202850 0.216214
H 4.605234 1.327404 1.792798
H 0.716935 -3.242748 -2.149535
H 0.644892 3.220542 -2.177860
H 0.693667 -1.580929 1.851100
H 0.675055 1.612087 1.844460
H -1.779373 -3.732012 -1.962022
H -1.857403 3.673674 -1.979137
H -1.796175 -2.074058 2.042628
H -1.821077 2.068140 2.046673


