%chk=000079717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079717

0 1
 O    4.695600       1.547600     -0.2710000    
 O   -4.672000       1.564600      0.2843000    
 C   5.4000001E-03  -1.582500     -7.7999998E-03
 C    1.244300     -0.7553000     -7.7600002E-02
 C   -1.291200     -0.7098000      7.3600002E-02
 C  -9.4200000E-02  -2.556800       1.226100    
 C  -1.8999999E-02  -2.549300      -1.243400    
 C    1.427700      0.1391000      -1.132200    
 C   -1.409900      0.1346000       1.132400    
 C    2.219700     -0.8760000      0.9122000    
 C   -2.206100     -0.8585000     -0.9211000    
 C    2.586500      0.9128000      -1.196800    
 C   -2.565600      0.9126000       1.204000    
 C    3.378500     -0.1022000      0.8476000    
 C   -3.361600     -8.0499999E-02 -0.8494000    
 C    3.561900      0.7922000     -0.2069000    
 C   -3.541400      0.8051000      0.2132000    
 C    2.765000       1.864000      -2.333900    
 C   -2.740100       1.854200       2.349900    
 C    4.411600     -0.2459000       1.916300    
 C   -4.395300     -0.2100000      -1.919400    
 H   0.7158000      -3.296500       1.215300    
 H  -5.1700000E-02  -2.032000       2.187500    
 H   -1.039100      -3.115300       1.210600    
 H  -0.8657000      -3.246000      -1.212500    
 H  -3.7999999E-02  -2.019200      -2.202900    
 H   0.8898000      -3.166100      -1.255600    
 H   0.6701000      0.2413000      -1.905200    
 H  -0.6463000      0.2203000       1.898000    
 H    2.111600      -1.561500       1.745700    
 H   -2.106200      -1.528000      -1.763700    
 H    2.850100       2.892500      -1.967500    
 H    3.654500       1.605400      -2.917900    
 H    1.911800       1.838200      -3.020900    
 H   -3.630700       1.594000       2.931600    
 H   -1.886800       1.817800       3.036300    
 H   -2.820600       2.886400       1.993000    
 H    4.120700     -0.9809000       2.674400    
 H    4.564400      0.7102000       2.428000    
 H    5.361400     -0.5777000       1.484100    
 H   -4.109500     -0.9416000      -2.682700    
 H   -4.541700      0.7507000      -2.424200    
 H   -5.347400     -0.5385000      -1.489700    
 H    4.693300       2.123400      -1.051000    
 H   -4.667300       2.133200       1.069500    


%chk=000079717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079717

0 1
O 4.820130 1.515905 -0.122013
O -4.810193 1.571929 0.124020
C -0.013789 -1.687005 -0.002303
C 1.262749 -0.807510 0.013371
C -1.280662 -0.793163 -0.014880
C -0.106205 -2.610577 1.249646
C 0.068870 -2.607063 -1.257584
C 1.399506 0.234012 -0.940003
C -1.408861 0.242243 0.946163
C 2.342451 -1.030246 0.902114
C -2.359110 -0.995832 -0.909950
C 2.561395 1.031809 -1.021851
C -2.561467 1.053355 1.029640
C 3.529069 -0.258843 0.861891
C -3.536412 -0.210367 -0.868582
C 3.620282 0.765993 -0.110757
C -3.619482 0.807685 0.111934
C 2.689901 2.147189 -2.046469
C -2.680963 2.161840 2.062787
C 4.678439 -0.504525 1.817609
C -4.684351 -0.433878 -1.831471
H 0.721464 -3.343666 1.270938
H -0.084765 -2.028429 2.188238
H -1.056852 -3.172106 1.222961
H -0.767376 -3.330229 -1.282636
H 0.055869 -2.021121 -2.193988
H 1.012738 -3.180022 -1.232022
H 0.570147 0.442648 -1.627198
H -0.579900 0.435602 1.638276
H 2.278150 -1.820789 1.657322
H -2.300977 -1.780916 -1.671280
H 2.827187 3.140496 -1.571678
H 3.539107 1.984457 -2.741916
H 1.779259 2.212082 -2.664306
H -3.534741 2.003393 2.753626
H -1.772110 2.211190 2.684706
H -2.804924 3.160488 1.595561
H 4.448005 -1.333529 2.508397
H 4.903387 0.398831 2.414325
H 5.607092 -0.750836 1.270166
H -4.462394 -1.262172 -2.525847
H -4.892995 0.476051 -2.424151
H -5.619297 -0.669616 -1.290168
H 4.795062 2.197756 -0.838152
H -4.780132 2.247586 0.845813


