%chk=000031448.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031448

0 1
 O   0.2387000       1.070300     -0.3966000    
 O   0.6062000      -1.273200     -0.1773000    
 C   -1.138500      0.9810000     -2.4999999E-03
 C   -1.657700     -0.4477000     -0.2524000    
 C  -0.7113000      -1.501700      0.3272000    
 C    1.062300      3.9600000E-02  0.1494000    
 C   -1.904500       1.968600     -0.8921000    
 C   -1.309300       1.413800       1.460700    
 C   -1.132900      -2.907700     -7.6499999E-02
 C    2.424600      0.2067000     -0.4318000    
 C    3.522400      0.4502000      0.2920000    
 H   -1.708900     -0.6073000      -1.338500    
 H   -2.671900     -0.5735000      0.1441000    
 H  -0.6874000      -1.448400       1.421900    
 H    1.112600      0.1423000       1.240200    
 H   -1.759300       1.733100      -1.952900    
 H   -2.978200       1.957300     -0.6783000    
 H   -1.532400       2.990000     -0.7514000    
 H   -2.367100       1.454300       1.742000    
 H  -0.8076000      0.7383000       2.159200    
 H  -0.8693000       2.404600       1.622800    
 H   -1.112000      -3.028400      -1.165200    
 H  -0.4355000      -3.646200      0.3335000    
 H   -2.139400      -3.139900      0.2844000    
 H    2.524800      0.1237000      -1.511400    
 H    4.486100      0.5614000     -0.1929000    
 H    3.482700      0.5428000       1.371700    


%chk=000031448-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031448

0 1
O 0.243672 1.084037 -0.429382
O 0.625484 -1.297847 -0.213088
C -1.194162 0.996275 0.005605
C -1.697579 -0.453578 -0.247709
C -0.744256 -1.527237 0.321887
C 1.100607 0.043567 0.146593
C -1.907973 1.997675 -0.914980
C -1.329256 1.425876 1.486255
C -1.127826 -2.952019 -0.077394
C 2.470853 0.219960 -0.444946
C 3.580802 0.459621 0.290908
H -1.777037 -0.611404 -1.339849
H -2.706688 -0.578548 0.192017
H -0.698199 -1.445847 1.432329
H 1.109408 0.132736 1.257568
H -1.720901 1.740546 -1.971550
H -2.998006 1.986962 -0.732476
H -1.529143 3.019321 -0.737350
H -2.396651 1.528916 1.754993
H -0.877174 0.702250 2.187146
H -0.837520 2.402748 1.635276
H -1.129811 -3.052519 -1.177031
H -0.402617 -3.675120 0.333258
H -2.134385 -3.204957 0.302655
H 2.510486 0.140184 -1.538237
H 4.563104 0.582275 -0.177609
H 3.541970 0.540129 1.384410


