%chk=000158135.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158135

0 1
 O   0.1249000      0.7302000     -6.3199997E-02
 O    1.720600       2.069300      -1.067600    
 O   -5.909600     -0.6638000      0.8248000    
 C    2.875100     -0.9709000     -0.2620000    
 C    3.763500      0.2256000     -0.2314000    
 C    2.393600      0.3114000      0.3512000    
 C    2.345900      -1.381000      -1.595100    
 C    3.123600      -2.119000      0.6588000    
 C    4.911000      0.2616000      0.6953000    
 C    1.392000       1.140800     -0.3432000    
 C    6.152400     -0.2177000      0.4884000    
 C    6.585200     -0.8972000     -0.7799000    
 C    7.217400     -0.1007000       1.543300    
 C  -0.9172000       1.480100     -0.6954000    
 C   -2.245200      0.9102000     -0.2913000    
 C   -2.888400       1.399000      0.8400000    
 C   -2.819400     -0.1020000      -1.051900    
 C   -4.122400      0.8683000       1.215900    
 C   -4.053500     -0.6325000     -0.6760000    
 C   -4.705000     -0.1474000      0.4579000    
 C   -6.748600      -1.159100     -0.2176000    
 C   -8.195800      -1.005100      0.1990000    
 H    3.953100      0.7439000      -1.166200    
 H    2.302700      0.3379000       1.433900    
 H    2.268800     -0.5488000      -2.303300    
 H    3.002600      -2.129400      -2.052500    
 H    1.349400      -1.824700      -1.493300    
 H    3.932100      -2.751700      0.2769000    
 H    3.391400      -1.807900       1.674300    
 H    2.224600      -2.739800      0.7440000    
 H    4.716700      0.7476000       1.650500    
 H    7.415600     -0.3493000      -1.237300    
 H    6.919700      -1.917600     -0.5654000    
 H    5.784800     -0.9629000      -1.522400    
 H    6.855000      0.3995000       2.447500    
 H    8.066600      0.4757000       1.162100    
 H    7.573500      -1.094500       1.833700    
 H  -0.7992000       1.431300      -1.785200    
 H  -0.8495000       2.533600     -0.3960000    
 H   -2.442600       2.188400       1.438800    
 H   -2.316000     -0.4926000      -1.932100    
 H   -4.625200       1.250000       2.100300    
 H   -4.458700      -1.441000      -1.277300    
 H   -6.522800      -2.217400     -0.3891000    
 H   -6.614000     -0.5985000      -1.151200    
 H   -8.433200      4.7100000E-02  0.3876000    
 H   -8.388200      -1.546300       1.131400    
 H   -8.868800      -1.385700     -0.5745000    


%chk=000158135-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158135

0 1
O 0.153540 -0.212413 -0.979447
O 1.816981 0.761792 -2.301562
O -5.757216 0.376940 1.331924
C 3.519485 -1.789341 -1.365622
C 3.871816 -0.580871 -0.481960
C 2.369081 -0.992852 -0.673563
C 3.732598 -1.653234 -2.871933
C 3.751489 -3.206127 -0.840609
C 4.510830 -0.686566 0.854272
C 1.480424 -0.066844 -1.413772
C 5.324934 0.237965 1.447456
C 5.717041 1.569508 0.831870
C 5.916213 -0.020596 2.823637
C -0.845715 0.707001 -1.636042
C -2.143165 0.598072 -0.881020
C -2.292901 1.205390 0.395894
C -3.244343 -0.102792 -1.423306
C -3.500788 1.111419 1.105921
C -4.470644 -0.204935 -0.727776
C -4.597273 0.405591 0.544996
C -6.934897 -0.339197 0.801163
C -8.038206 -0.209145 1.847580
H 4.119195 0.315475 -1.062770
H 1.882181 -1.498673 0.164749
H 3.512301 -0.632899 -3.226800
H 4.782378 -1.895181 -3.124334
H 3.080412 -2.356182 -3.424809
H 4.810584 -3.496776 -0.975541
H 3.505777 -3.312632 0.230289
H 3.125953 -3.926595 -1.399733
H 4.301851 -1.607960 1.418092
H 5.425005 2.404502 1.499516
H 6.816937 1.634228 0.710591
H 5.256946 1.751654 -0.152300
H 5.607343 -0.999914 3.228967
H 5.604732 0.762851 3.543476
H 7.024150 0.003682 2.791897
H -0.948858 0.395981 -2.690824
H -0.418013 1.725745 -1.616946
H -1.449248 1.749602 0.836164
H -3.147790 -0.581897 -2.405268
H -3.625238 1.574573 2.089460
H -5.302451 -0.753132 -1.179201
H -6.670732 -1.402160 0.623473
H -7.238483 0.116118 -0.164162
H -8.283397 0.851892 2.024497
H -7.720862 -0.656123 2.805033
H -8.951454 -0.727940 1.503580


