%chk=000184905.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184905

0 1
O -0.138311 -3.607617 1.525408
O -2.403184 2.481094 -0.265253
O 3.509612 0.876266 -0.476515
C -2.069431 -3.146816 0.046537
C -3.098341 -4.021192 -0.676535
C -1.679301 -3.950448 -1.191492
C -1.571261 -3.634706 1.402124
C -2.212004 -1.664884 -0.046750
C -1.284708 -0.906159 -0.786900
C -3.262017 -1.016234 0.614267
C -1.392766 0.476029 -0.847957
C -3.389069 0.377029 0.572797
C 0.454960 -2.313918 1.773464
C -2.442824 1.111186 -0.152365
C 1.395015 -1.952844 0.651496
C 1.940187 -0.660266 0.624856
C 1.747920 -2.888578 -0.329229
C -3.468942 3.258436 0.370741
C 2.834833 -0.345082 -0.401314
C 2.651928 -2.544073 -1.339668
C 3.206788 -1.264593 -1.393341
C -3.095622 4.690391 0.042000
C 2.851271 2.046706 -0.092739
C 1.484853 2.259004 -0.298760
C 3.696943 3.034900 0.433158
C 0.945550 3.499134 0.051271
C 3.135000 4.269392 0.761796
C 1.765259 4.502158 0.579589
H -3.460629 -4.932897 -0.210104
H -3.895084 -3.537828 -1.239001
H -1.472795 -3.432610 -2.125622
H -1.016070 -4.805613 -1.073668
H -1.763308 -4.717979 1.546192
H -2.032667 -3.068986 2.230137
H -0.465853 -1.410801 -1.306245
H -3.994519 -1.600801 1.171192
H -0.676319 1.080240 -1.407587
H -4.206960 0.858185 1.095866
H 1.021423 -2.466450 2.716314
H -0.316203 -1.537836 1.926810
H 1.683777 0.076189 1.382280
H 1.307276 -3.886872 -0.287688
H -3.455900 3.049072 1.453805
H -4.431483 2.954236 -0.075217
H 2.925797 -3.281099 -2.094779
H 3.911962 -0.974913 -2.167901
H -3.884636 5.388605 0.344163
H -2.927949 4.816255 -1.038145
H -2.165321 4.991423 0.541717
H 0.851923 1.480596 -0.729539
H 4.755735 2.830066 0.569460
H -0.124454 3.673157 -0.092711
H 3.769292 5.056734 1.168589
H 1.340728 5.466111 0.847696


%chk=000184905-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184905

0 1
O -0.059430 -3.534381 0.576575
O -2.446928 2.386866 -0.699477
O 3.850406 1.198429 0.495735
C -2.438972 -3.349861 -0.149541
C -3.734650 -4.167937 -0.310324
C -2.643676 -4.226352 -1.392701
C -1.455377 -3.874726 0.903232
C -2.493637 -1.847240 -0.296960
C -1.629594 -1.176849 -1.204740
C -3.365373 -1.063019 0.495617
C -1.636989 0.225412 -1.316147
C -3.387470 0.347795 0.399929
C 0.467184 -2.400335 1.351296
C -2.516194 0.994774 -0.512437
C 1.762261 -1.925361 0.717331
C 2.161488 -0.579963 0.896707
C 2.579803 -2.806547 -0.031871
C -3.345393 3.233511 0.111397
C 3.364417 -0.123539 0.314230
C 3.792826 -2.339517 -0.587092
C 4.194277 -0.995734 -0.421777
C -3.082093 4.681509 -0.293358
C 2.976327 2.315204 0.486497
C 1.730554 2.332274 -0.184599
C 3.467888 3.472519 1.132304
C 0.967902 3.521974 -0.190529
C 2.700102 4.656637 1.109510
C 1.446031 4.687048 0.453267
H -3.877032 -5.047951 0.326513
H -4.654806 -3.624713 -0.544992
H -2.847919 -3.726321 -2.343689
H -2.048350 -5.140729 -1.479980
H -1.500441 -4.980166 0.934729
H -1.721671 -3.481917 1.907775
H -0.940670 -1.769126 -1.816807
H -4.046603 -1.561875 1.196007
H -0.979201 0.744077 -2.021317
H -4.078430 0.919818 1.025954
H 0.645841 -2.730148 2.400348
H -0.266637 -1.569792 1.375570
H 1.536930 0.109728 1.475019
H 2.248371 -3.837105 -0.183953
H -3.131888 3.070970 1.187853
H -4.398709 2.947532 -0.088639
H 4.426769 -3.022624 -1.163278
H 5.123716 -0.611737 -0.852402
H -3.747685 5.359473 0.271251
H -3.269389 4.824954 -1.371164
H -2.036963 4.964328 -0.079356
H 1.358199 1.440164 -0.696297
H 4.439260 3.426515 1.633910
H -0.003324 3.521738 -0.697833
H 3.082203 5.554684 1.607773
H 0.852838 5.608135 0.441633


