%chk=000158637.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158637

0 1
 O  -0.9952000     -0.8073000     -0.8926000    
 O   -3.960400       1.921700      7.6000001E-03
 O   -3.998400     -0.6725000       1.240800    
 O   0.2631000      0.6931000      0.4437000    
 O   -1.266900       2.838800     -0.5206000    
 O   -1.045400      -3.434800     -0.1533000    
 O    5.641900     -0.3889000     -8.3899997E-02
 C   -2.788500       1.142200      0.2572000    
 C   -3.161300     -0.3368000      0.1366000    
 C   -1.716200       1.510900     -0.7660000    
 C   -1.910000      -1.225500      0.1269000    
 C  -0.5380000      0.5363000     -0.7260000    
 C   -2.248000      -2.687900     -0.1502000    
 C    1.598500      0.4245000      0.3130000    
 C    2.012100     -0.8441000     -8.1400000E-02
 C    2.532200       1.422000      0.5752000    
 C    3.373300      -1.118000     -0.2149000    
 C    3.893400       1.148200      0.4415000    
 C    4.313900     -0.1218000      4.6500001E-02
 H   -2.457600       1.388000       1.273800    
 H   -3.741100     -0.4965000     -0.7816000    
 H   -2.167200       1.499700      -1.766000    
 H   -1.397500      -1.179100       1.097000    
 H   8.5400000E-02  0.7688000      -1.600600    
 H   -2.722600      -2.811800      -1.129300    
 H   -2.910200      -3.099600      0.6168000    
 H   -4.577300       1.770700      0.7433000    
 H   -4.840700     -0.2010000       1.128100    
 H  -0.8195000       2.845500      0.3429000    
 H  -0.4864000      -3.086800     -0.8688000    
 H    1.301600      -1.640700     -0.2714000    
 H    2.208700       2.412500      0.8824000    
 H    3.695100      -2.110400     -0.5188000    
 H    4.616200       1.933000      0.6480000    
 H    6.147600      0.4123000      0.1359000    


%chk=000158637-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158637

0 1
O -1.021233 -0.662354 -1.090000
O -4.117165 1.706368 0.483685
O -3.948277 -1.072867 1.195460
O 0.146796 0.949437 0.323984
O -1.573529 2.982130 -0.321048
O -0.701827 -3.368425 -0.535448
O 5.543745 -0.701213 0.246836
C -2.835658 0.995617 0.419712
C -3.165549 -0.472100 0.115442
C -1.928431 1.601221 -0.668906
C -1.852900 -1.261345 0.003830
C -0.673063 0.727092 -0.886909
C -2.015103 -2.728766 -0.392033
C 1.511906 0.522949 0.259917
C 1.849401 -0.846896 0.370768
C 2.514146 1.508920 0.152106
C 3.205437 -1.228070 0.359646
C 3.873977 1.127861 0.148460
C 4.215225 -0.243196 0.247455
H -2.314039 1.052486 1.399684
H -3.723826 -0.517597 -0.845574
H -2.488839 1.673344 -1.616407
H -1.292332 -1.186424 0.955671
H -0.100475 1.012378 -1.786839
H -2.602204 -2.804822 -1.331391
H -2.539503 -3.272075 0.407774
H -3.923958 2.675964 0.565878
H -4.695292 -0.450835 1.395536
H -0.836516 2.919878 0.345502
H -0.207612 -2.859790 -1.230129
H 1.067016 -1.605042 0.475141
H 2.230582 2.563731 0.077639
H 3.497213 -2.278648 0.444929
H 4.656237 1.893481 0.069008
H 6.180250 0.052307 0.172421


