%chk=000127813.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127813

0 1
 O    3.254000     -0.7011000      0.6696000    
 O    6.333100      0.7932000     -0.6621000    
 O    4.699200       3.124600     -3.1800002E-02
 O    1.902500      2.7300000E-02  -1.140100    
 O    2.956800       1.940200       1.762500    
 O    4.740600      -2.978800      0.4034000    
 O   -7.728900      0.3848000      0.8336000    
 O   -7.070100       1.839800     -0.6725000    
 N   0.2421000      -1.725800     -0.5276000    
 N  -0.7601000      -1.015800     -0.7372000    
 N   -1.739800      -1.486400      5.0500002E-02
 N   -6.846800      0.8590000      7.7600002E-02
 C    5.152300      0.7459000      0.1347000    
 C    4.178500       1.831500     -0.3275000    
 C    4.507900     -0.6380000     -1.4900000E-02
 C    2.823400       1.675800      0.3648000    
 C    2.289300      0.2526000      0.2112000    
 C    5.397300      -1.734800      0.5639000    
 C    1.392900      -1.296400      -1.339000    
 C   -3.013700     -0.9026000      5.5799998E-02
 C   -4.018100      -1.406500      0.8896000    
 C   -3.292400      0.1919000     -0.7703000    
 C   -5.555700      0.2677000      7.1099997E-02
 C   -5.285100     -0.8232000      0.8971000    
 C   -4.559300      0.7752000     -0.7626000    
 H    5.443600      0.9343000       1.175600    
 H    4.056100       1.782400      -1.415800    
 H    4.343800     -0.8699000      -1.075400    
 H    2.111100       2.402800     -4.2300001E-02
 H    1.411900      0.1446000      0.8598000    
 H    6.363700      -1.787500      5.4800000E-02
 H    5.559900      -1.579200       1.635700    
 H    7.018200      0.2726000     -0.2104000    
 H    4.961800       3.140100      0.9039000    
 H    3.167200       2.884000       1.862000    
 H    1.122700      -1.367900      -2.399800    
 H    2.202400      -2.020900      -1.197900    
 H    5.319900      -3.660700      0.7841000    
 H   -1.555400      -2.278900      0.6531000    
 H   -3.820500      -2.256000       1.538900    
 H   -2.539700      0.6132000      -1.431800    
 H   -6.036700      -1.245500       1.559300    
 H   -4.734700       1.623500      -1.419300    


%chk=000127813-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127813

0 1
O 3.711841 -0.866515 0.749377
O 6.621301 1.062135 -0.720315
O 5.390431 2.979100 0.943831
O 1.989784 0.524463 -0.208050
O 3.985983 1.447453 2.709214
O 4.729484 -2.722167 -1.351359
O -8.496224 -0.264975 -0.054635
O -7.846660 0.092886 -2.215149
N 0.032271 -0.759458 0.314429
N -1.115089 -0.591246 -0.277181
N -2.161136 -0.700869 0.610894
N -7.587788 -0.144678 -0.969414
C 5.584413 0.620908 0.234479
C 4.659911 1.840951 0.373042
C 4.751320 -0.577895 -0.274185
C 3.492390 1.561261 1.336676
C 2.795113 0.235791 0.989778
C 5.526887 -1.875732 -0.454064
C 1.163461 -0.606907 -0.634870
C -3.491022 -0.558662 0.192167
C -4.524547 -0.682316 1.164349
C -3.818329 -0.295677 -1.169181
C -6.177683 -0.287097 -0.568924
C -5.868231 -0.546789 0.786070
C -5.161911 -0.160883 -1.546328
H 6.027323 0.373766 1.221795
H 4.265213 2.091020 -0.632526
H 4.273823 -0.311099 -1.238720
H 2.752445 2.381521 1.253666
H 2.164923 -0.110083 1.825377
H 6.519361 -1.664431 -0.910858
H 5.672691 -2.348543 0.538715
H 7.389274 0.439367 -0.703195
H 6.227735 3.078919 0.421542
H 4.619426 2.205144 2.830402
H 0.827574 -0.365630 -1.657823
H 1.760368 -1.538376 -0.611350
H 5.047188 -3.657659 -1.299928
H -1.928184 -0.886293 1.598723
H -4.270837 -0.883439 2.211534
H -3.016075 -0.200610 -1.903672
H -6.679367 -0.637058 1.512930
H -5.443652 0.041503 -2.582963


