%chk=000225751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225751

0 1
O -3.280238 0.246834 -1.941543
O 0.519258 -2.495661 0.339565
O -5.220387 0.258405 0.813305
O 5.819011 -0.128052 -1.854264
O -4.165746 -2.555537 -0.269899
C -0.953795 1.261280 -0.192458
C 0.389788 1.096238 0.530006
C -1.887884 0.047485 0.110635
C 1.086156 -0.177807 -0.019880
C 2.448065 -0.446992 0.699158
C 3.357578 0.824421 0.644586
C -3.229064 0.544369 -0.536025
C -1.826143 2.488610 0.122420
C 1.299923 2.315901 0.320008
C -1.265753 -1.199705 -0.516565
C 2.626589 2.114670 1.054286
C -3.254101 2.070488 -0.291007
C 0.154182 -1.394849 -0.006770
C 3.148168 -1.637282 -0.024960
C -2.124369 -0.194815 1.605326
C 4.027147 0.976781 -0.729802
C 2.216541 -0.817092 2.173649
C 4.648376 -1.455405 -0.243852
C -4.475724 -0.192489 -0.016466
C 4.931698 -0.197690 -1.034010
C -4.714872 -1.565060 -0.677724
H -0.742905 1.278000 -1.292532
H 0.212547 0.968173 1.627104
H 1.323420 0.006892 -1.101619
H 4.177367 0.670727 1.395962
H -1.489750 3.383664 -0.424157
H -1.785180 2.747314 1.195105
H 0.800916 3.230999 0.692017
H 1.480769 2.488433 -0.757545
H -1.274843 -1.153387 -1.622531
H -1.871711 -2.107846 -0.279570
H 3.285751 2.987807 0.881905
H 2.446068 2.094583 2.148116
H -3.988697 2.323622 0.499581
H -3.595045 2.602888 -1.195006
H 2.669780 -1.827275 -1.006220
H 2.961078 -2.573999 0.542514
H -2.714185 -1.107024 1.777008
H -1.180483 -0.332855 2.148955
H -2.654856 0.635184 2.086867
H 4.610622 1.917933 -0.784672
H 3.270428 1.066804 -1.534378
H 1.588416 -1.716309 2.260691
H 3.158921 -1.041798 2.683999
H 1.721378 -0.014753 2.728157
H 5.072086 -2.336770 -0.769166
H 5.190674 -1.410578 0.722646
H -2.615431 0.772650 -2.433650
H -5.408138 -1.536924 -1.531395


%chk=000225751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225751

0 1
O -2.974013 0.331984 -2.064407
O 0.459577 -2.516228 0.734862
O -5.380769 0.254181 0.524607
O 5.930947 -0.197428 -1.926391
O -4.062469 -2.454140 -1.178573
C -0.966273 1.245238 -0.099600
C 0.397915 1.109764 0.602269
C -1.913209 0.024358 0.142538
C 1.109441 -0.207687 0.126726
C 2.524571 -0.447984 0.763758
C 3.415603 0.841794 0.574651
C -3.205538 0.537058 -0.612454
C -1.843070 2.476278 0.224045
C 1.314811 2.319109 0.303798
C -1.233560 -1.239847 -0.440994
C 2.692086 2.152644 0.975352
C -3.272591 2.056262 -0.243739
C 0.148676 -1.418131 0.198431
C 3.206600 -1.661453 0.022200
C -2.254802 -0.207032 1.638049
C 4.029815 0.910108 -0.847042
C 2.432138 -0.759976 2.283767
C 4.724659 -1.484214 -0.219258
C -4.516798 -0.186595 -0.282931
C 4.996364 -0.255057 -1.084394
C -4.872443 -1.528461 -0.956609
H -0.770823 1.258178 -1.194397
H 0.242540 1.060333 1.700094
H 1.266496 -0.059604 -0.969788
H 4.268751 0.731107 1.276982
H -1.490688 3.385128 -0.292572
H -1.832733 2.691257 1.309056
H 0.837368 3.250637 0.664031
H 1.429227 2.424843 -0.795741
H -1.125201 -1.109248 -1.535403
H -1.820716 -2.154890 -0.268047
H 3.342212 3.015406 0.730269
H 2.552940 2.171256 2.074697
H -4.026899 2.209271 0.546916
H -3.607667 2.644461 -1.120131
H 2.723560 -1.814270 -0.963524
H 3.015753 -2.585990 0.591356
H -2.915328 -1.085791 1.751729
H -1.343902 -0.419192 2.224191
H -2.764121 0.657056 2.098989
H 4.575532 1.857033 -1.015294
H 3.244239 0.865290 -1.630295
H 1.791673 -1.637847 2.463891
H 3.439988 -0.984547 2.683011
H 2.032974 0.092037 2.864517
H 5.167244 -2.370392 -0.707510
H 5.258564 -1.356400 0.745927
H -3.480680 1.019188 -2.568164
H -5.974572 -1.645658 -1.107543


