%chk=000100154.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100154

0 1
 O   0.8351000      -3.760300     -0.6932000    
 O    2.282600       1.545400      -2.192000    
 O    3.060900     -0.1067000       2.235300    
 O    3.523900       1.791000      0.2721000    
 O   -4.591300       1.785200      0.1439000    
 O   -2.387700       1.788700       1.838200    
 C   6.8599999E-02  -2.555300     -0.7428000    
 C   -1.101500      -2.648000      0.2609000    
 C   0.9942000      -1.390600     -0.4707000    
 C   -2.021400      -1.474500      0.2321000    
 C    1.604200      -1.286400      0.7677000    
 C    1.211500     -0.4527000      -1.465600    
 C    2.064800      0.6218000      -1.214600    
 C    2.457300     -0.2117000       1.018700    
 C   -1.776800     -0.3759000       1.056100    
 C   -3.127100      -1.475900     -0.6184000    
 C    2.687600      0.7424000      2.7600000E-02
 C   -2.637700      0.7212000       1.029600    
 C   -3.988100     -0.3789000     -0.6448000    
 C   -3.743300      0.7197000      0.1792000    
 C    1.607100       1.348000      -3.432500    
 C    2.365900      0.6257000       3.242700    
 C    4.902400       1.606000     -4.1000001E-02
 C   -4.291200       2.821800     -0.7886000    
 H  -0.3377000      -2.482900      -1.759400    
 H  -0.7321000      -2.812300       1.282000    
 H   -1.673500      -3.562600      4.8999999E-02
 H    1.441900      -2.030500       1.542400    
 H   0.6999000     -0.5979000      -2.410100    
 H  -0.9307000     -0.3687000       1.737300    
 H   -3.327500      -2.324700      -1.266800    
 H   0.2347000      -4.497800     -0.8961000    
 H   -4.847500     -0.3868000      -1.309800    
 H    1.895000       2.174500      -4.090600    
 H   0.5195000       1.401700      -3.313300    
 H    1.928800      0.4240000      -3.925000    
 H    2.209900       1.662100       2.927300    
 H    2.976000      0.6241000       4.150100    
 H    1.404400      0.1523000       3.466000    
 H   -3.101500       2.439100       1.721300    
 H    5.031600       1.405300      -1.109300    
 H    5.324800      0.7862000      0.5486000    
 H    5.436800       2.526800      0.2084000    
 H   -4.349300       2.441300      -1.813300    
 H   -3.297100       3.239400     -0.5998000    
 H   -5.032700       3.616300     -0.6681000    


%chk=000100154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100154

0 1
O 0.532031 -3.891517 -0.011166
O 2.045205 1.984567 -0.915247
O 4.130062 -1.281355 2.049037
O 4.086323 1.326549 0.871297
O -4.424730 2.182238 -1.253967
O -2.501550 2.515881 0.574946
C -0.026490 -2.561918 -0.313702
C -1.322811 -2.330774 0.545144
C 1.072573 -1.545431 -0.029493
C -2.177598 -1.165912 0.072975
C 2.091404 -1.835884 0.900190
C 1.042322 -0.280148 -0.665576
C 2.022423 0.691108 -0.360816
C 3.094976 -0.880762 1.181518
C -1.971048 0.144509 0.578515
C -3.181088 -1.368624 -0.906935
C 3.083629 0.390664 0.545004
C -2.734659 1.219887 0.096242
C -3.968457 -0.293932 -1.388637
C -3.741765 1.000880 -0.886668
C 0.859065 2.417124 -1.662539
C 4.378990 -0.426552 3.229543
C 4.930986 1.781516 -0.254753
C -5.507532 2.061154 -2.230751
H -0.314747 -2.509276 -1.386564
H -1.013633 -2.205469 1.598381
H -1.925676 -3.260767 0.485650
H 2.140711 -2.815096 1.380511
H 0.247147 -0.053525 -1.380968
H -1.204038 0.343012 1.333129
H -3.361614 -2.377773 -1.295907
H -0.181061 -4.570620 -0.117692
H -4.742983 -0.478579 -2.139503
H 1.050433 3.471481 -1.912678
H -0.052024 2.337744 -1.039948
H 0.732180 1.832934 -2.594958
H 4.626265 0.603681 2.924628
H 5.229621 -0.895639 3.747910
H 3.491307 -0.425339 3.892491
H -3.161406 3.127922 0.151908
H 4.321256 2.314726 -1.003343
H 5.446180 0.919541 -0.719750
H 5.669112 2.462731 0.196278
H -6.307317 1.395332 -1.853851
H -5.127462 1.678797 -3.197545
H -5.900813 3.079813 -2.361638


