%chk=000187316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187316

0 1
O -3.787620 1.880345 -0.000501
O -5.528710 -0.267973 0.002352
C 0.873227 -0.106057 -0.000092
C 0.406304 1.230881 -0.000246
C 2.308411 -0.359973 0.000104
C -1.437789 -0.904916 -0.000294
C -1.900665 0.442844 -0.000197
C -0.075623 -1.162907 -0.000163
C 3.204401 0.735930 -0.000017
C -0.989120 1.485941 -0.000231
C 1.352223 2.325220 -0.000429
C 2.688172 2.088364 -0.000336
C 2.840451 -1.677677 0.000439
C -2.407985 -2.008487 -0.000737
C -3.355989 0.754079 -0.000059
C 4.605483 0.499234 0.000192
C 4.205043 -1.889417 0.000645
C -3.732023 -1.805605 -0.000376
C -4.338813 -0.455231 0.000871
C 5.096653 -0.791079 0.000517
H 0.287270 -2.193232 -0.000143
H -1.352262 2.520325 -0.000243
H 0.956155 3.341616 -0.000667
H 3.407483 2.908056 -0.000496
H 2.156040 -2.527397 0.000552
H -1.993134 -3.021650 -0.001410
H 5.286685 1.349654 0.000097
H 4.607539 -2.901694 0.000913
H -4.453178 -2.627243 -0.000810
H 6.170468 -0.975953 0.000667


%chk=000187316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187316

0 1
O -3.839565 1.937704 -0.000544
O -5.631795 -0.249892 -0.000272
C 0.884855 -0.130750 0.000025
C 0.407788 1.234543 -0.000048
C 2.326476 -0.382803 0.000067
C -1.469331 -0.915853 0.000024
C -1.932171 0.449069 -0.000078
C -0.086507 -1.176656 0.000069
C 3.233762 0.742755 0.000028
C -0.995493 1.490388 -0.000106
C 1.349048 2.328088 -0.000064
C 2.711262 2.089573 -0.000033
C 2.887955 -1.697876 0.000148
C -2.438730 -2.009243 0.000159
C -3.392939 0.756346 -0.000094
C 4.645016 0.515249 0.000059
C 4.274713 -1.897854 0.000178
C -3.798053 -1.804146 -0.000070
C -4.382017 -0.452081 -0.000613
C 5.163939 -0.784057 0.000130
H 0.236478 -2.222713 0.000121
H -1.364689 2.522712 -0.000176
H 0.959884 3.352263 -0.000100
H 3.421991 2.924000 -0.000051
H 2.234251 -2.575175 0.000193
H -2.044371 -3.033764 0.000456
H 5.318431 1.380376 0.000026
H 4.678626 -2.915924 0.000238
H -4.506328 -2.639693 0.000077
H 6.246612 -0.948588 0.000152


