%chk=000178692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178692

0 1
 O   -5.291100       1.376000      0.1185000    
 O    5.384200     -0.2656000      3.8199998E-02
 C   -2.485900     -0.5543000     -4.2500000E-02
 C   -3.029300      0.6554000      0.1052000    
 C   -2.297600       1.920200      0.3099000    
 C   -1.026700     -0.7044000      1.1300000E-02
 C  -0.1970000      0.4474000     -3.5300002E-02
 C  -0.8486000       1.819200     -0.1909000    
 C   -3.467900      -1.668200     -0.2126000    
 C   -4.830800     -0.9759000     -0.2105000    
 C   -4.480700      0.4676000      1.9200001E-02
 C    1.225000      0.3075000     -2.9700000E-02
 C  -0.4428000      -1.970200      9.9600002E-02
 C    1.782500     -0.9924000      7.1800001E-02
 C   0.9422000      -2.109400      0.1396000    
 C    2.130200       1.391400     -0.1299000    
 C    3.176600      -1.167300      9.3300000E-02
 C    3.514300       1.202100     -0.1102000    
 C    4.037400     -7.7100001E-02  5.2000000E-03
 C    6.205900      0.8980000     -5.0200000E-02
 H   -2.796700       2.753800     -0.1967000    
 H   -2.298800       2.150800       1.382600    
 H  -0.2774000       2.582400      0.3482000    
 H  -0.8188000       2.075100      -1.258200    
 H   -3.310300      -2.204700      -1.154400    
 H   -3.406900      -2.388300      0.6105000    
 H   -5.465400      -1.344300      0.6002000    
 H   -5.338200      -1.088300      -1.172800    
 H   -1.050200      -2.870700      0.1428000    
 H    1.359500      -3.112200      0.2135000    
 H    1.772500       2.413000     -0.2310000    
 H    3.601800      -2.166500      0.1771000    
 H    4.120100       2.098500     -0.1895000    
 H    7.247200      0.5625000     -6.0000001E-03
 H    6.048600       1.567300      0.8024000    
 H    6.075000       1.410400      -1.009300    


%chk=000178692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178692

0 1
O -5.413973 1.456402 0.149662
O 5.441477 -0.271638 0.065075
C -2.487279 -0.566154 -0.046023
C -3.095857 0.660380 0.107673
C -2.305132 1.914191 0.369430
C -1.031311 -0.713974 0.002791
C -0.221961 0.451328 -0.066581
C -0.898801 1.808827 -0.274552
C -3.503026 -1.688125 -0.232064
C -4.879314 -0.965201 -0.214566
C -4.560849 0.527721 0.035519
C 1.211697 0.317475 -0.038819
C -0.422650 -2.013034 0.102398
C 1.812166 -1.004255 0.077499
C 0.957802 -2.156971 0.145617
C 2.103526 1.438525 -0.132598
C 3.229825 -1.142734 0.109993
C 3.491111 1.287497 -0.104118
C 4.062953 -0.020279 0.022142
C 6.353658 0.872297 -0.031421
H -2.843722 2.799107 -0.014366
H -2.211493 2.059517 1.466089
H -0.269926 2.629237 0.111011
H -0.991943 1.975125 -1.369610
H -3.326429 -2.234767 -1.178013
H -3.422264 -2.436014 0.580753
H -5.552605 -1.337339 0.578189
H -5.423608 -1.067636 -1.170780
H -1.067097 -2.897780 0.150250
H 1.414511 -3.149801 0.226852
H 1.695385 2.448505 -0.232012
H 3.685368 -2.133948 0.201424
H 4.130468 2.172210 -0.176672
H 7.361826 0.436192 0.021550
H 6.209068 1.576624 0.810420
H 6.230298 1.407290 -0.992743


