%chk=000057139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057139

0 1
 O   -2.801200       1.898000      0.7114000    
 O   -4.009000     -0.2163000       1.827300    
 O   -3.693100      -1.568700      -1.544600    
 C   -3.666800       1.126300     -0.1291000    
 C   -2.207500       1.325600     -0.4633000    
 C   -4.106900     -0.2032000      0.4041000    
 C   -1.250300      0.1707000     -0.2560000    
 C   -3.285300      -1.360000     -0.1921000    
 C   -1.785900      -1.130900     -0.1348000    
 C   0.1637000      0.3514000     -0.1798000    
 C    1.038800     -0.7599000     -1.4300000E-02
 C  -0.9353000      -2.222700      1.4700000E-02
 C   0.7307000       1.633700     -0.2637000    
 C   0.4439000      -2.037600      7.3299997E-02
 C    2.465400     -0.5535000      5.5900000E-02
 C    2.106200       1.837000     -0.1947000    
 C    2.979800      0.7633000     -3.7300002E-02
 C  -3.0400001E-02   2.919700     -0.3854000    
 C    3.419700      -1.591700      0.2161000    
 C    4.363500       1.003500      2.7799999E-02
 C    4.793800      -1.341900      0.2794000    
 C    5.266000     -4.2800002E-02  0.1852000    
 H   -4.418200       1.647100     -0.7057000    
 H   -2.119700       1.893900      -1.384100    
 H   -5.166700     -0.3349000      0.1559000    
 H   -3.518100      -2.276700      0.3649000    
 H   -1.337100      -3.230000      9.1499999E-02
 H   -4.342200      -1.075900       2.136300    
 H    1.045900      -2.934200      0.1953000    
 H   -4.641300      -1.784400      -1.535800    
 H    2.520000       2.842700     -0.2607000    
 H   0.6345000       3.791300     -0.3087000    
 H  -0.4866000       3.027500      -1.371700    
 H  -0.7258000       3.067100      0.4417000    
 H    3.112400      -2.631200      0.2961000    
 H    4.753800       2.017200     -4.4199999E-02
 H    5.489200      -2.167100      0.4026000    
 H    6.331800      0.1576000      0.2338000    


%chk=000057139-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057139

0 1
O -2.879457 2.004841 0.616851
O -4.018538 -0.183558 1.885013
O -3.626954 -1.555621 -1.617501
C -3.719738 1.063178 -0.194994
C -2.286114 1.245764 -0.578624
C -4.154624 -0.265025 0.429703
C -1.282219 0.178421 -0.270680
C -3.290330 -1.399836 -0.178382
C -1.801291 -1.125529 -0.100576
C 0.142009 0.426508 -0.179640
C 1.022980 -0.716688 0.005604
C -0.925528 -2.217077 0.116357
C 0.746122 1.767363 -0.238141
C 0.452834 -2.015986 0.150574
C 2.479628 -0.553223 0.054215
C 2.127612 1.886429 -0.162839
C 3.025971 0.771125 -0.039795
C -0.042282 3.066431 -0.338262
C 3.394834 -1.644356 0.187278
C 4.440769 0.971211 0.005848
C 4.780086 -1.433273 0.226929
C 5.312528 -0.114667 0.137059
H -4.482735 1.577553 -0.791355
H -2.077901 1.899992 -1.430313
H -5.216949 -0.456512 0.152804
H -3.510579 -2.351108 0.357200
H -1.339624 -3.224795 0.235707
H -4.248519 -1.067538 2.272842
H 1.103414 -2.880274 0.303473
H -4.566636 -1.868518 -1.695579
H 2.570474 2.889967 -0.192660
H 0.627418 3.918890 -0.132859
H -0.458064 3.226243 -1.351105
H -0.879603 3.114335 0.376731
H 3.027053 -2.672185 0.254312
H 4.831904 1.993112 -0.064424
H 5.457739 -2.288371 0.326277
H 6.396012 0.042776 0.170251


