%chk=000157324.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157324

0 1
 O   -2.173300       2.296000      0.5505000    
 O   -3.973100      0.7020000       1.727800    
 O   -4.000100     -0.8872000      -1.552400    
 C   -3.206000       1.758500     -0.2835000    
 C   -1.744500       1.500600     -0.5645000    
 C   -4.031800      0.6537000      0.3032000    
 C   -1.180600      0.1319000     -0.2560000    
 C   -3.577600     -0.7294000     -0.1971000    
 C   -2.078800     -0.9500000     -8.5100003E-02
 C   0.2187000     -0.1059000     -0.1316000    
 C   -1.596000      -2.238000      0.1631000    
 C   0.6863000      -1.415800      0.1321000    
 C  -0.2286000      -2.466100      0.2710000    
 C    1.180900      0.9204000     -0.2591000    
 C    2.064800      -1.661500      0.2528000    
 C    2.561000      0.6780000     -0.1372000    
 C    3.008700     -0.6322000      0.1218000    
 C    3.503800       1.711900     -0.2674000    
 C    4.386800     -0.8785000      0.2435000    
 C    4.869000       1.452900     -0.1435000    
 C    5.310200      0.1587000      0.1116000    
 H   -3.753400       2.433800     -0.9258000    
 H   -1.334400       2.026600      -1.421500    
 H   -5.077300      0.8212000      1.7700000E-02
 H   -4.092500      -1.497000      0.3942000    
 H   -2.283400      -3.072200      0.2782000    
 H   -4.552300     -3.9999999E-04   2.069300    
 H   0.1158000      -3.479200      0.4694000    
 H   0.8554000       1.941700     -0.4556000    
 H   -3.486500      -1.608700      -1.953300    
 H    2.410900      -2.675700      0.4546000    
 H    3.181100       2.731700     -0.4672000    
 H    4.753100      -1.883400      0.4432000    
 H    5.586400       2.261800     -0.2465000    
 H    6.372600     -4.4799998E-02  0.2082000    


%chk=000157324-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157324

0 1
O -2.138118 2.253944 0.750238
O -4.303269 0.746864 1.687666
O -3.982831 -0.862198 -1.614689
C -3.176337 1.755513 -0.217912
C -1.736221 1.456964 -0.497314
C -4.113753 0.634024 0.238269
C -1.194480 0.096829 -0.217988
C -3.584045 -0.757628 -0.181924
C -2.088988 -0.962566 -0.018398
C 0.233907 -0.121437 -0.114604
C -1.595363 -2.280868 0.271296
C 0.722796 -1.472396 0.154007
C -0.231279 -2.533157 0.345111
C 1.179371 0.925961 -0.252207
C 2.116636 -1.707563 0.243282
C 2.573518 0.691544 -0.159870
C 3.058620 -0.662948 0.086645
C 3.535622 1.755773 -0.300040
C 4.479580 -0.888227 0.174423
C 4.900231 1.501070 -0.209136
C 5.377735 0.164121 0.029634
H -3.653028 2.569832 -0.776172
H -1.219327 2.069647 -1.245874
H -5.076906 0.758653 -0.298988
H -4.124394 -1.539580 0.394630
H -2.316281 -3.091490 0.435644
H -5.057298 0.158329 1.949316
H 0.138220 -3.542061 0.561991
H 0.834150 1.953322 -0.410667
H -3.426919 -1.557999 -2.049097
H 2.472471 -2.725760 0.445648
H 3.171628 2.774469 -0.478999
H 4.841579 -1.906592 0.359870
H 5.622080 2.317888 -0.317366
H 6.455991 -0.016878 0.098476


