%chk=000101393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101393

0 1
 O   0.1332000       1.867800      0.5075000    
 O    1.043400       2.017500      -1.601700    
 O   0.1925000      -2.512800     -0.2250000    
 O  -8.2500003E-02 -0.7083000      -1.627500    
 C   -2.665100       1.107400      0.6156000    
 C   -3.861100      0.3153000      7.9800002E-02
 C   -2.071500       2.076500     -0.4056000    
 C   -4.470500     -0.6367000       1.109900    
 C  -0.8667000       2.816100      0.1607000    
 C   -5.606200      -1.450600      0.5084000    
 C    2.014900      0.5594000      1.5300000E-02
 C    1.028500       1.557000     -0.4707000    
 C    1.766700     -0.7917000     -0.1246000    
 C    3.171500       1.033900      0.6042000    
 C    2.711900      -1.705200      0.3421000    
 C    4.116700      0.1203000       1.070800    
 C    3.886900      -1.249000      0.9399000    
 C   0.5491000      -1.299100     -0.7436000    
 C  -0.9916000      -3.117700     -0.7556000    
 H   -2.977000       1.667500       1.506000    
 H   -1.899000      0.3944000      0.9439000    
 H   -3.540700     -0.2584000     -0.7989000    
 H   -4.632000       1.016000     -0.2642000    
 H   -1.780000       1.517400      -1.301800    
 H   -2.832900       2.804800     -0.7074000    
 H   -3.699400      -1.319300       1.485400    
 H   -4.845100     -6.5600000E-02   1.967000    
 H  -0.4925000       3.563000     -0.5490000    
 H   -1.143300       3.355700       1.073000    
 H   -6.030100      -2.122800       1.261000    
 H   -6.406800     -0.7983000      0.1454000    
 H   -5.251600      -2.059500     -0.3294000    
 H    3.357000       2.098900      0.7093000    
 H    2.571500      -2.778400      0.2429000    
 H    5.031900      0.4753000       1.535500    
 H    4.624600      -1.960000       1.300300    
 H   -1.859100      -2.479600     -0.5625000    
 H  -0.8753000      -3.297800      -1.828300    
 H   -1.140000      -4.076000     -0.2510000    


%chk=000101393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101393

0 1
O 0.177594 1.689915 0.671489
O 1.312243 2.629344 -1.147457
O 0.223827 -2.465087 0.365829
O -0.344393 -0.660868 -0.991495
C -2.860231 1.023830 0.662511
C -3.961374 0.292103 -0.134985
C -2.124137 2.088515 -0.179744
C -4.742700 -0.742023 0.707724
C -0.915528 2.708555 0.531946
C -5.818333 -1.494370 -0.105226
C 2.196048 0.634226 -0.055858
C 1.188979 1.728578 -0.284283
C 1.862244 -0.745134 0.070874
C 3.547544 1.036558 0.064924
C 2.881713 -1.684141 0.372834
C 4.557158 0.093552 0.354357
C 4.220731 -1.268986 0.523361
C 0.484090 -1.232265 -0.242870
C -1.096194 -3.061657 0.053328
H -3.306220 1.502989 1.560153
H -2.121466 0.285291 1.029659
H -3.494234 -0.215826 -1.003600
H -4.676027 1.033057 -0.551857
H -1.782398 1.643916 -1.132961
H -2.823670 2.910757 -0.437865
H -4.028788 -1.472265 1.144283
H -5.218758 -0.229053 1.568344
H -0.511846 3.572630 -0.024291
H -1.146859 2.992666 1.572748
H -6.361026 -2.228922 0.518166
H -6.562649 -0.789848 -0.522064
H -5.364159 -2.038972 -0.954759
H 3.794582 2.095254 -0.062259
H 2.610382 -2.738768 0.468551
H 5.597578 0.421718 0.449982
H 4.998031 -2.004947 0.753961
H -1.906032 -2.391547 0.388022
H -1.192531 -3.231276 -1.032448
H -1.112892 -4.010100 0.608076


