%chk=000170805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170805

0 1
 O    4.463800      0.9457000     -0.1826000    
 O    4.549900      -1.313800      0.2482000    
 C   -1.784800     -1.1200000E-02  2.7000001E-03
 C  -0.3395000     -7.8599997E-02  1.4600000E-02
 C   -2.431800       1.160200      0.3954000    
 C   -2.531000      -1.118500     -0.4010000    
 C   -4.571500      0.1175000     -1.9200001E-02
 C   0.4147000       1.074000     -0.2047000    
 C   0.2995000      -1.296800      0.2459000    
 C   -3.825200       1.224600      0.3846000    
 C   -3.924300      -1.054200     -0.4120000    
 C    2.447100     -0.2097000      3.8699999E-02
 C    1.808000       1.008400     -0.1927000    
 C    1.692800      -1.362400      0.2580000    
 C   -6.061300      0.1861000     -3.1500001E-02
 C    3.899700     -0.2786000      5.1600002E-02
 C    5.893900       1.007500     -0.1960000    
 H   -1.894000       2.036500      0.7470000    
 H   -2.071000      -2.041200     -0.7441000    
 H  -3.8800001E-02   2.037800     -0.4192000    
 H  -0.2455000      -2.213900      0.4522000    
 H   -4.318500       2.139900      0.7009000    
 H   -4.495100      -1.921500     -0.7333000    
 H    2.354600       1.929400     -0.3748000    
 H    2.171100      -2.320000      0.4469000    
 H   -6.460400     -0.1440000      0.9328000    
 H   -6.408600       1.206900     -0.2239000    
 H   -6.479300     -0.4482000     -0.8205000    
 H    6.291300      0.3695000     -0.9910000    
 H    6.293300      0.7067000      0.7771000    
 H    6.188300       2.041500     -0.3934000    


%chk=000170805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170805

0 1
O 4.620661 0.974103 -0.196519
O 4.652940 -1.308640 0.272642
C -1.829082 0.003973 -0.002586
C -0.341246 -0.048587 0.010660
C -2.529796 1.171651 0.407843
C -2.601696 -1.111428 -0.429643
C -4.708033 0.104514 -0.029682
C 0.438238 1.119954 -0.226989
C 0.348078 -1.270260 0.261001
C -3.938134 1.218894 0.393405
C -4.009755 -1.059105 -0.444911
C 2.515332 -0.150250 0.033878
C 1.843746 1.074740 -0.215640
C 1.752260 -1.323108 0.272098
C -6.225380 0.146676 -0.015167
C 3.998804 -0.257018 0.056312
C 6.100383 0.946237 -0.193127
H -1.968735 2.040451 0.770127
H -2.095275 -2.014520 -0.788659
H -0.064916 2.065806 -0.454711
H -0.225003 -2.177783 0.479144
H -4.450091 2.131285 0.722955
H -4.577392 -1.930507 -0.793741
H 2.433607 1.975090 -0.407880
H 2.282365 -2.260003 0.472555
H -6.622998 -0.212242 0.954413
H -6.604331 1.172942 -0.164270
H -6.656438 -0.496168 -0.802685
H 6.472436 0.253383 -0.966821
H 6.475492 0.618490 0.791208
H 6.401359 1.981028 -0.408511


