%chk=000184358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184358

0 1
O 3.313872 0.660175 0.198924
O 2.085456 -2.721248 1.027423
O 4.591804 -3.122608 -0.518164
O 6.463431 -1.113752 0.483268
O 5.261842 2.743158 0.984866
O -0.027951 -0.775818 1.930805
O 2.020347 1.124064 -1.908558
O -2.541657 1.634983 -1.447582
O -2.507800 -0.662488 2.131782
O -7.757500 -0.407360 -1.284074
C 4.223954 -2.066419 0.382455
C 2.725185 -1.738334 0.200195
C 5.146329 -0.903416 -0.037064
C 2.338790 -0.312228 0.675477
C 4.681110 0.412438 0.616177
C 1.038962 0.136227 0.082690
C 5.454968 1.636630 0.106310
C -0.163136 -0.113587 0.771060
C 0.952669 0.841435 -1.143432
C -1.449769 0.258240 0.265286
C -0.276788 1.308396 -1.639488
C -1.440688 1.047700 -0.920887
C -2.622483 -0.205849 0.985485
C -3.973039 -0.191826 0.366051
C -4.190940 -0.813883 -0.880904
C -5.055402 0.329271 1.093754
C -5.467495 -0.874457 -1.420719
C -6.344471 0.292987 0.565264
C -6.533791 -0.315047 -0.686871
H 2.407579 -1.923800 -0.851706
H 4.426153 -2.400473 1.428004
H 5.205358 -0.837041 -1.147737
H 2.322817 -0.261302 1.791773
H 4.717053 0.355976 1.728362
H 5.161613 1.917341 -0.920663
H 6.550697 1.450073 0.158369
H 1.185540 -2.423197 1.309793
H 4.061241 -3.929509 -0.315701
H 6.801089 -1.990187 0.174181
H -0.309675 1.891316 -2.560334
H 4.311615 3.001590 0.996051
H -0.953421 -0.883205 2.463416
H 2.914470 0.860948 -1.467146
H -3.370144 1.530442 -0.900066
H -3.346866 -1.249091 -1.424033
H -4.881041 0.765668 2.081902
H -5.665946 -1.346463 -2.382680
H -7.180442 0.708570 1.120218
H -8.483898 -0.017040 -0.731232


%chk=000184358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184358

0 1
O 3.478384 0.695192 0.015590
O 1.809416 -2.658260 0.603613
O 4.547262 -3.358656 0.215272
O 6.517880 -1.338965 0.746683
O 5.440372 2.782812 0.584083
O -0.010394 -0.943735 1.668185
O 2.064419 1.599346 -1.893114
O -2.637467 1.857703 -1.446553
O -2.421915 -0.844561 1.976013
O -7.982677 -0.537491 -1.066312
C 4.141927 -2.019087 0.642951
C 2.750354 -1.662057 0.087790
C 5.217207 -1.048318 0.144415
C 2.392037 -0.204092 0.499703
C 4.831089 0.381085 0.565488
C 1.069965 0.295345 -0.064383
C 5.769930 1.465398 0.039293
C -0.120977 -0.103146 0.568555
C 0.958371 1.160081 -1.196968
C -1.440850 0.293847 0.110939
C -0.301659 1.635118 -1.633758
C -1.477159 1.235868 -0.989152
C -2.594591 -0.245684 0.821004
C -3.992379 -0.225994 0.298369
C -4.297748 -0.531582 -1.061993
C -5.062887 -0.063101 1.219354
C -5.631394 -0.637669 -1.493100
C -6.399415 -0.143144 0.793246
C -6.683279 -0.429987 -0.567974
H 2.755981 -1.741735 -1.017573
H 4.097407 -1.975233 1.754821
H 5.274642 -1.119845 -0.964241
H 2.357944 -0.148861 1.608661
H 4.771099 0.447512 1.670823
H 5.753775 1.466561 -1.072651
H 6.792363 1.241950 0.379802
H 1.117046 -2.209398 1.179800
H 3.789852 -3.968708 0.416558
H 6.662397 -2.317870 0.666515
H -0.349317 2.349315 -2.457669
H 4.497118 2.987905 0.357587
H -1.004268 -1.024572 2.074856
H 2.891680 1.303354 -1.380020
H -3.453059 1.508613 -0.997941
H -3.490769 -0.733723 -1.774340
H -4.826235 0.118911 2.272042
H -5.877192 -0.888999 -2.528346
H -7.215393 0.003696 1.511935
H -8.659291 -0.397140 -0.357562


