%chk=000083686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083686

0 1
 O   -2.387500      0.7356000       1.237400    
 O   -1.148200      -1.060600      0.3109000    
 O   -5.422600      -1.175700     -0.8085000    
 O   -4.396700       1.318500      -1.797800    
 O   -3.391000      -2.731100      0.5434000    
 O   -1.536400       3.275100      0.7090000    
 O   0.8480000     -0.4369000      -1.524800    
 O    2.831500     -0.6160000       1.560600    
 O    3.880700      -2.046300     -0.7035000    
 O    6.040500     -0.7142000      6.9999998E-04
 O    6.462300       1.916200      6.3800000E-02
 C   -4.085000     -0.7220000     -0.5881000    
 C   -4.104800      0.8053000     -0.5001000    
 C   -3.560100      -1.328100      0.7119000    
 C   -2.759200       1.349800     -1.9000000E-03
 C   -2.242400     -0.6831000       1.144400    
 C   -2.805800       2.855500      0.2436000    
 C   6.4900003E-02 -0.4468000      0.7350000    
 C    1.189400     -0.8730000     -0.2094000    
 C    2.545600     -0.2742000      0.2074000    
 C    3.732700     -0.6319000     -0.6997000    
 C    5.072800     -1.4800000E-02 -0.3027000    
 C    5.171100       1.498500     -0.3313000    
 H   -3.497500      -1.062500      -1.448600    
 H   -4.910200       1.128200      0.1718000    
 H   -4.312700      -1.180000       1.497000    
 H   -1.972800       1.158000     -0.7439000    
 H   -2.012900      -1.049200       2.153000    
 H   -3.046000       3.402600     -0.6730000    
 H   -3.542400       3.101600       1.015600    
 H   0.2765000     -0.7654000       1.761100    
 H  -3.2200001E-02  0.6439000      0.7094000    
 H    1.238600      -1.967400     -0.2297000    
 H    2.448700      0.8188000      0.1773000    
 H   -5.967300     -0.8915000     -5.4800000E-02
 H   -5.250700      0.9442000      -2.074300    
 H   -3.054800      -3.088500       1.383000    
 H    3.531600     -0.3283000      -1.732600    
 H   -1.589000       4.234000      0.8615000    
 H   0.8039000      0.5346000      -1.516000    
 H    2.287200     -5.0500002E-02   2.133800    
 H    3.994900      -2.335300      0.2182000    
 H    4.988400       1.848600      -1.350400    
 H    4.440400       1.940100      0.3499000    
 H    6.577400       1.667300      0.9968000    


%chk=000083686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083686

0 1
O -2.597947 0.746299 1.406949
O -1.360460 -1.219835 0.757832
O -5.380095 -1.179073 -1.056261
O -4.314043 1.369806 -1.839956
O -3.593454 -2.816432 0.681493
O -1.020807 2.907305 0.262027
O 0.429058 0.769290 -0.662855
O 2.740537 -1.179347 1.528909
O 3.536264 -1.276913 -1.096467
O 5.055017 0.423833 1.156147
O 6.897420 1.475733 -0.526399
C -4.066418 -0.742472 -0.571234
C -4.104984 0.794006 -0.511127
C -3.759020 -1.363392 0.809473
C -2.728025 1.242328 0.004510
C -2.526868 -0.705764 1.470725
C -2.481283 2.736796 0.043192
C -0.071521 -0.725750 1.306798
C 0.864770 -0.367957 0.145597
C 2.291060 -0.063327 0.666462
C 3.287621 0.057013 -0.509274
C 4.660238 0.559174 -0.045721
C 5.599215 1.157077 -1.075924
H -3.272866 -1.046502 -1.288023
H -4.909465 1.113835 0.185429
H -4.634548 -1.223536 1.466491
H -1.945831 0.772436 -0.623312
H -2.467390 -0.929423 2.552199
H -2.787693 3.172905 -0.925710
H -3.040331 3.207688 0.874202
H 0.385798 -1.525117 1.915220
H -0.263151 0.166214 1.935195
H 0.909561 -1.219143 -0.557737
H 2.271187 0.886920 1.240087
H -5.399829 -2.170368 -1.030963
H -5.053307 0.861769 -2.265018
H -2.647856 -2.969386 0.410034
H 2.861195 0.678589 -1.313661
H -0.763513 3.851491 0.134998
H 0.005072 1.515700 -0.131282
H 3.586343 -0.873069 1.961839
H 3.510780 -1.908329 -0.319364
H 5.696540 0.435105 -1.913207
H 5.123765 2.074038 -1.488590
H 6.878164 1.232884 0.441676


