%chk=000170932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170932

0 1
 O  -0.4025000      -1.285600     -0.2395000    
 O    3.078900     -0.3284000     -0.6894000    
 O    1.361400       1.042900      0.2734000    
 C    1.673700     -0.1078000     -0.5231000    
 C   0.9790000      -1.321800      9.1600001E-02
 C   -1.104800      -2.381600      0.3323000    
 C   -2.578200      -2.300700     -4.8900001E-02
 C    3.795000     -0.5550000      0.5169000    
 C    1.491000       2.257800     -0.4537000    
 C   -3.201100      -1.012400      0.4100000    
 C   -3.763600     -0.1190000     -0.4172000    
 C   -4.377200       1.170700      4.0899999E-02
 C    5.257100     -0.7709000      0.1895000    
 C    1.144800       3.416700      0.4569000    
 C   -3.353600       2.295300      6.0199998E-02
 H    1.261100      4.0500000E-02  -1.529200    
 H    1.418500      -2.246900     -0.2998000    
 H    1.085800      -1.312600       1.182900    
 H  -0.9963000      -2.359700       1.423700    
 H  -0.6845000      -3.323100     -4.0300000E-02
 H   -2.671600      -2.395200      -1.137800    
 H   -3.120800      -3.140100      0.3999000    
 H    3.690700      0.3100000       1.180400    
 H    3.415000      -1.444200       1.029200    
 H    2.519100       2.364400     -0.8165000    
 H   0.8087000       2.251600      -1.310900    
 H   -3.195000     -0.8176000       1.479800    
 H   -3.765200     -0.3063000      -1.487900    
 H   -4.807000       1.053700       1.043000    
 H   -5.206700       1.429400     -0.6268000    
 H    5.839800     -0.9470000       1.098100    
 H    5.668300      0.1007000     -0.3303000    
 H    5.379800      -1.628300     -0.4807000    
 H    1.233700       4.369800     -7.1900003E-02
 H    1.807300       3.432800       1.328700    
 H   0.1223000       3.316800      0.8359000    
 H   -2.533800       2.076300      0.7530000    
 H   -3.825200       3.229600      0.3808000    
 H   -2.924300       2.457200     -0.9344000    


%chk=000170932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000170932

0 1
O -0.395080 -1.496241 -0.324222
O 3.105914 -0.429283 -0.723327
O 1.331443 0.887394 0.264023
C 1.659206 -0.273073 -0.543007
C 0.995013 -1.482750 0.124822
C -1.204174 -2.509957 0.358351
C -2.666715 -2.319615 -0.083361
C 3.865717 -0.642532 0.530358
C 1.519290 2.172950 -0.442920
C -3.279731 -1.038508 0.443248
C -3.719915 -0.009825 -0.324666
C -4.281026 1.294930 0.201912
C 5.344842 -0.458663 0.193332
C 1.099885 3.283958 0.517689
C -3.410882 2.511293 -0.212117
H 1.282825 -0.161043 -1.578607
H 1.517628 -2.413061 -0.189862
H 1.052333 -1.385084 1.230429
H -1.111007 -2.392254 1.462155
H -0.845383 -3.529205 0.087477
H -2.705269 -2.338435 -1.188464
H -3.240579 -3.197413 0.281386
H 3.528036 0.087412 1.292254
H 3.676149 -1.668069 0.913420
H 2.579808 2.275750 -0.749351
H 0.888706 2.175435 -1.357770
H -3.338611 -0.945924 1.540455
H -3.634544 -0.093796 -1.420317
H -4.356656 1.249670 1.305534
H -5.310742 1.446606 -0.183809
H 5.969896 -0.632107 1.088789
H 5.533699 0.564945 -0.174125
H 5.655089 -1.168657 -0.593008
H 1.208643 4.272259 0.034468
H 1.724318 3.268590 1.427959
H 0.045697 3.154821 0.819232
H -2.384335 2.405073 0.183374
H -3.839441 3.456358 0.170330
H -3.340449 2.590053 -1.313265


