%chk=000157694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157694

0 1
 O    3.993600       1.196200       2.020400    
 O    4.427700      -1.390700      0.7439000    
 O   -5.798000      8.7800004E-02  0.8748000    
 C    1.676300      0.5568000      2.4300000E-02
 C    2.449300     -0.6797000     -0.4904000    
 C   0.3460000      0.6959000     -0.7162000    
 C    2.709000       1.679900      1.7600000E-02
 C  -0.5091000     -0.5572000     -0.4175000    
 C    3.946900      0.9937000      0.6255000    
 C  -0.3772000       1.999200     -0.3677000    
 C    3.702400     -0.4884000      0.3477000    
 C    1.596600      -1.885200     -0.2517000    
 C    2.885100     -0.6595000      -1.965500    
 C   -1.859100     -0.4739000     -0.2909000    
 C   -1.773900       1.978700     -0.9756000    
 C   0.2517000      -1.808800     -0.2470000    
 C   -2.561200      0.8151000     -0.4267000    
 C   -2.784700      -1.649700     -3.3900000E-02
 C   -3.840000       1.000400     -5.7399999E-02
 C   -3.868800      -1.330900      0.9872000    
 C   -4.612500     -7.9999998E-02  0.5990000    
 H    1.425800      0.4056000       1.091100    
 H   0.5300000      0.7142000      -1.798700    
 H    2.376400       2.539300      0.6085000    
 H    2.909500       2.021800      -1.003200    
 H    4.874600       1.332100      0.1568000    
 H   0.1801000       2.856600     -0.7631000    
 H  -0.4405000       2.130000      0.7207000    
 H    2.076800      -2.852000     -0.1308000    
 H    3.509500      -1.533500      -2.191500    
 H    2.032900     -0.6874000      -2.652700    
 H    3.486500      0.2204000      -2.216400    
 H   -1.709300       1.891300      -2.067700    
 H   -2.268900       2.933500     -0.7603000    
 H  -0.2872000      -2.736900     -9.7199999E-02
 H   -3.255900      -1.923500     -0.9879000    
 H   -2.260300      -2.539700      0.3203000    
 H    4.001200       2.155200       2.180400    
 H   -4.340200       1.955600     -0.1780000    
 H   -3.443000      -1.184400       1.986200    
 H   -4.580600      -2.162400       1.032200    


%chk=000157694-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157694

0 1
O 4.104814 1.108331 2.000296
O 4.639745 -1.423141 0.505558
O -6.051478 -0.056318 0.465947
C 1.721184 0.611740 0.037062
C 2.461217 -0.664315 -0.458539
C 0.344371 0.754292 -0.633554
C 2.796002 1.720906 -0.055320
C -0.488368 -0.508747 -0.306776
C 4.049522 1.007523 0.531180
C -0.401176 2.046502 -0.246986
C 3.826813 -0.515916 0.239682
C 1.620486 -1.875599 -0.153944
C 2.800842 -0.666464 -1.995574
C -1.877452 -0.444391 -0.191782
C -1.808701 2.032545 -0.877196
C 0.252217 -1.764189 -0.111393
C -2.596986 0.818786 -0.409788
C -2.755085 -1.670821 0.064943
C -3.965323 0.918531 -0.220233
C -4.017125 -1.356717 0.901423
C -4.787796 -0.153063 0.357941
H 1.538116 0.456142 1.122637
H 0.491449 0.784451 -1.736828
H 2.541576 2.617431 0.536195
H 2.974902 2.040131 -1.100074
H 5.002867 1.345321 0.077509
H 0.165065 2.929226 -0.599591
H -0.480779 2.120218 0.855840
H 2.117367 -2.842039 -0.004498
H 3.376820 -1.576927 -2.237173
H 1.875977 -0.678887 -2.596237
H 3.405010 0.208607 -2.297308
H -1.701266 1.995999 -1.982332
H -2.365028 2.957190 -0.641490
H -0.324425 -2.674013 0.084664
H -3.077798 -2.074471 -0.918074
H -2.192710 -2.476038 0.564965
H 4.512226 1.976656 2.245646
H -4.488935 1.853236 -0.456957
H -3.725812 -1.119322 1.945396
H -4.694843 -2.226888 0.943363


