%chk=000047348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047348

0 1
 O    3.287000      -1.476600     -0.1053000    
 O    4.678600      0.2384000      0.7978000    
 O  -0.2609000       1.618600     -0.3473000    
 O    2.639600       1.517300      -1.668300    
 O   -4.428100       2.107500      0.8105000    
 O   -1.179600      -3.116000      0.3607000    
 O   -1.957000       3.153400     -0.5150000    
 C    2.672000      0.8777000     -0.4091000    
 C    1.503200     -7.4999998E-03 -0.2116000    
 C    3.826300     -0.1453000     -0.3100000    
 C   -2.183000     -0.3643000      5.7599999E-02
 C  -0.7840000     -0.7430000      2.6100000E-02
 C   0.1497000      0.2795000     -0.1738000    
 C   -3.346800      -1.276500      0.2450000    
 C   -2.560900      0.9061000     -0.1047000    
 C   -4.042800       1.059500     -6.0800001E-02
 C   -4.496700     -0.2953000      0.4974000    
 C    1.927700      -1.315700     -5.3300001E-02
 C    2.991900       1.806300      0.6963000    
 C  -0.3305000      -2.064000      0.1819000    
 C    1.037200      -2.357000      0.1430000    
 C   -1.604500       1.993800     -0.3379000    
 C    4.100500       1.385900       1.293300    
 C   -1.639100      -3.782700     -0.8126000    
 H    4.444300     -0.1682000      -1.216500    
 H   -3.548400      -1.854800     -0.6610000    
 H   -3.247000      -1.946500       1.103400    
 H   -4.456600       1.239000      -1.058900    
 H   -5.423300     -0.6347000      2.1100000E-02
 H   -4.706000     -0.2243000       1.573200    
 H    2.428700       2.685400      0.9701000    
 H    1.393800      -3.375300      0.2626000    
 H    4.613700       1.825400       2.130000    
 H    2.140400      0.9661000      -2.294600    
 H   -4.144600       2.945900      0.4076000    
 H  -0.9066000      -4.540300      -1.107900    
 H   -1.798700      -3.090100      -1.645600    
 H   -2.582600      -4.283800     -0.5796000    


%chk=000047348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047348

0 1
O 3.194648 -1.517636 -0.505117
O 4.751231 0.050353 0.476873
O -0.258095 1.675465 -0.289895
O 2.653551 1.787252 -1.604649
O -4.476884 2.323147 0.962401
O -1.484811 -3.048961 -0.143744
O -1.839932 3.370579 -0.245974
C 2.642477 0.893119 -0.441523
C 1.421894 0.001821 -0.358535
C 3.803425 -0.156473 -0.613425
C -2.311022 -0.276650 -0.113257
C -0.935746 -0.715391 -0.196148
C 0.062895 0.312885 -0.274729
C -3.588820 -1.094639 -0.008926
C -2.621117 1.075930 -0.148706
C -4.114087 1.345192 -0.073904
C -4.694034 -0.040374 0.313968
C 1.806182 -1.346586 -0.381080
C 3.012522 1.563012 0.874663
C -0.478614 -2.083525 -0.216099
C 0.892612 -2.414297 -0.314494
C -1.649244 2.133784 -0.232786
C 4.182998 1.046644 1.322062
C -1.087643 -4.463365 -0.174472
H 4.344233 -0.106352 -1.567637
H -3.775290 -1.612439 -0.969682
H -3.507985 -1.888017 0.751622
H -4.488713 1.701880 -1.058018
H -5.646393 -0.257375 -0.196163
H -4.888116 -0.006956 1.400510
H 2.400119 2.319237 1.362751
H 1.251205 -3.444140 -0.339274
H 4.783230 1.264874 2.204160
H 1.896700 2.422792 -1.507525
H -4.005941 3.173857 0.751994
H -0.440844 -4.712075 0.687602
H -0.568815 -4.708580 -1.120030
H -2.030875 -5.024093 -0.109014


