%chk=000197991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197991

0 1
O -4.174245 -0.953360 1.340240
O -4.957120 1.970552 -0.031604
O 6.168562 -0.210507 0.205054
C -2.317300 -0.539127 -0.158010
C -1.655254 0.825224 -0.560204
C -0.175397 0.921465 -0.120248
C -3.788702 -0.166803 0.203732
C 0.513411 -0.460231 -0.223523
C -1.599075 -1.133163 1.067188
C -2.498826 1.951108 0.077125
C -3.818782 1.341170 0.563692
C -0.109233 -1.408526 0.827235
C -2.311376 -1.507463 -1.364427
C 0.581719 1.958648 -0.965089
C 2.018963 -0.381349 -0.091464
C 1.996167 2.148507 -0.409784
C 2.713937 0.844083 -0.196620
C -2.932627 -2.867097 -1.058985
C 2.749491 -1.565450 0.091014
C 4.109701 0.874600 -0.090315
C 4.141564 -1.560234 0.197629
C 4.800034 -0.327384 0.108859
H -1.706171 0.928759 -1.668709
H -0.136189 1.242414 0.951038
H -4.494380 -0.386582 -0.625282
H 0.297959 -0.881003 -1.244661
H -2.115587 -2.061726 1.384839
H -1.724957 -0.438701 1.922155
H -1.964219 2.421907 0.923101
H -2.681034 2.770653 -0.639145
H -4.001013 1.501754 1.649184
H 0.433334 -1.314378 1.787955
H 0.028282 -2.456370 0.501281
H -1.263054 -1.648968 -1.707133
H -2.842002 -1.041967 -2.217514
H 0.044004 2.924543 -0.966782
H 0.632473 1.633051 -2.021893
H 1.955501 2.692134 0.559416
H 2.579060 2.802157 -1.091158
H -2.266476 -3.484152 -0.444116
H -3.872961 -2.768411 -0.499433
H -3.144642 -3.423657 -1.977409
H -5.115782 -0.785972 1.554212
H -4.876815 2.011275 -1.003956
H 2.226047 -2.521024 0.150825
H 4.668747 1.804404 -0.160085
H 4.688784 -2.483804 0.343073
H 6.605379 -1.084596 0.344403


%chk=000197991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197991

0 1
O -4.389420 -0.944398 1.208519
O -4.758501 2.081806 0.940670
O 6.285521 -0.048590 0.499091
C -2.357113 -0.611956 -0.248043
C -1.633142 0.717708 -0.759000
C -0.180789 0.868698 -0.225490
C -3.755933 -0.093425 0.201400
C 0.568113 -0.487430 -0.315785
C -1.578168 -1.194621 0.961801
C -2.550873 1.921267 -0.347622
C -3.508799 1.339022 0.707626
C -0.109980 -1.548643 0.616429
C -2.487935 -1.644835 -1.407204
C 0.602547 1.954446 -0.996478
C 2.079411 -0.357625 -0.078535
C 1.975787 2.198864 -0.341394
C 2.746770 0.902992 -0.110137
C -3.216162 -2.957953 -1.043595
C 2.858728 -1.521206 0.144577
C 4.145514 0.965816 0.087567
C 4.253744 -1.464171 0.340555
C 4.896566 -0.204398 0.313747
H -1.562719 0.668599 -1.865497
H -0.220926 1.177924 0.842518
H -4.421058 -0.023242 -0.695483
H 0.437257 -0.832199 -1.367346
H -2.106471 -2.079139 1.356279
H -1.588837 -0.454980 1.784926
H -1.978123 2.782003 0.038938
H -3.141006 2.284002 -1.214392
H -3.048528 1.307486 1.710731
H 0.464973 -1.629091 1.558620
H -0.067048 -2.545738 0.136628
H -1.479965 -1.882928 -1.800632
H -3.028213 -1.148845 -2.241544
H 0.030680 2.902187 -1.029161
H 0.739507 1.622335 -2.046686
H 1.825140 2.709914 0.632842
H 2.583692 2.887084 -0.959199
H -2.638532 -3.554204 -0.314177
H -4.202188 -2.754916 -0.591204
H -3.362264 -3.582466 -1.944411
H -5.115809 -0.411669 1.626527
H -5.177448 2.275672 0.062103
H 2.366581 -2.499896 0.166328
H 4.669491 1.927706 0.064244
H 4.828423 -2.384278 0.509732
H 6.717407 -0.926287 0.646318


