%chk=000228593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228593

0 1
O -3.018746 1.207835 -0.024054
O -1.592263 -2.059463 0.066086
C 2.018373 0.320221 -0.007722
C 3.355499 -0.432963 0.011915
C 0.834002 -0.652521 0.021878
C 4.545045 0.535695 -0.017791
C -0.504003 0.092007 0.002769
C 5.882836 -0.217304 0.002246
C -1.679930 -0.851779 0.031803
C 7.071238 0.741231 -0.027303
C -3.011860 -0.202524 0.015657
C -4.301379 -0.679167 0.031132
C -5.171159 0.466866 0.000230
C -4.360949 1.574710 -0.032248
H 1.961479 0.959935 -0.909587
H 1.964060 1.010543 0.856185
H 3.413693 -1.073576 0.913331
H 3.411005 -1.124370 -0.851334
H 0.887216 -1.299841 0.920928
H 0.884437 -1.349994 -0.839012
H 4.491769 1.226975 0.845070
H 4.489373 1.175790 -0.919132
H -0.577523 0.742469 -0.895856
H -0.574582 0.792925 0.862869
H 5.941180 -0.856994 0.904660
H 5.938711 -0.908394 -0.861599
H 8.020847 0.194658 -0.012966
H 7.065188 1.364291 -0.928814
H 7.067905 1.415338 0.836716
H -4.613053 -1.709404 0.060658
H -6.244154 0.432916 0.002884
H -4.507253 2.632789 -0.061799


%chk=000228593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228593

0 1
O -3.155725 1.257998 -0.039945
O -1.645629 -2.055587 0.089227
C 2.038659 0.324433 -0.005981
C 3.390589 -0.424184 0.005327
C 0.823525 -0.628523 0.019260
C 4.614345 0.518931 -0.014343
C -0.516029 0.128578 0.003099
C 5.965406 -0.232451 -0.004389
C -1.735629 -0.790803 0.040199
C 7.183492 0.716227 -0.022278
C -3.068417 -0.160602 0.018232
C -4.357101 -0.691459 0.043838
C -5.280624 0.412387 0.000963
C -4.517860 1.572748 -0.049191
H 1.987114 0.970240 -0.908056
H 1.993320 1.008361 0.867868
H 3.441751 -1.072512 0.905003
H 3.438389 -1.105490 -0.869803
H 0.868729 -1.273997 0.917415
H 0.865739 -1.316869 -0.846700
H 4.569059 1.199383 0.861980
H 4.564776 1.168265 -0.913774
H -0.594605 0.774980 -0.895732
H -0.583994 0.829923 0.860816
H 6.013387 -0.881872 0.893626
H 6.010143 -0.911446 -0.880408
H 8.136060 0.155015 -0.014065
H 7.174955 1.354720 -0.925993
H 7.177327 1.384953 0.859298
H -4.588684 -1.753268 0.088565
H -6.367244 0.359044 0.006258
H -4.758224 2.631779 -0.092517


