%chk=000228282.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228282

0 1
O -0.890665 -1.556861 1.438864
O 1.486892 -0.830641 2.263642
O -2.190113 1.419350 0.658654
O 1.165623 -1.713472 -0.501158
O -1.230749 0.670908 -2.240261
O 1.724646 1.672637 -1.327513
O -1.631454 -1.335353 3.573141
O 3.318437 0.491097 2.401087
O -4.026172 0.619946 -0.398797
O 3.020030 -2.568045 0.495804
O -2.064565 2.766270 -2.444003
O 2.308784 1.209010 -3.465207
C -0.586509 -0.136527 1.359986
C 0.933845 0.032813 1.243094
C -1.350566 0.354065 0.117679
C 1.515621 -0.353240 -0.127881
C -0.532094 1.016677 -1.005503
C 0.888142 0.482538 -1.255470
C -1.393494 -2.051758 2.633088
C 2.771417 -0.533668 2.723542
C -3.531051 1.468777 0.300703
C 1.986367 -2.750791 -0.101326
C -2.003782 1.637724 -2.867412
C 2.399198 1.943634 -2.515055
C -1.575657 -3.520458 2.481963
C 3.226968 -1.653529 3.580403
C -4.131015 2.679940 0.913436
C 1.374396 -4.024290 -0.567880
C -2.662395 1.016240 -4.043182
C 3.160788 3.204140 -2.332831
H -0.967470 0.371900 2.288129
H 1.226002 1.095013 1.467899
H -1.992999 -0.466979 -0.302418
H 2.631074 -0.254345 -0.114371
H -0.522647 2.133249 -0.876895
H 0.923499 -0.081161 -2.229626
H -1.292332 -3.877585 1.478844
H -2.627357 -3.801408 2.655405
H -0.966632 -4.064669 3.221061
H 2.413527 -2.082006 4.185603
H 4.039186 -1.340052 4.253145
H 3.614426 -2.470793 2.937081
H -4.161053 3.505576 0.179253
H -5.164918 2.489477 1.240944
H -3.555187 3.045942 1.779808
H 1.995990 -4.491693 -1.349146
H 1.291813 -4.744375 0.260133
H 0.367034 -3.872917 -0.992263
H -3.682764 0.683798 -3.779105
H -2.750352 1.732455 -4.874731
H -2.122467 0.126276 -4.407696
H 3.140120 3.565029 -1.289509
H 4.216700 3.070488 -2.620441
H 2.748034 4.006550 -2.966912


%chk=000228282-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228282

0 1
O -0.998292 -1.367671 1.758223
O 1.578507 -0.798056 2.144103
O -2.603592 0.840581 0.257606
O 0.870581 -1.737912 -0.654638
O -1.298008 1.283658 -2.254324
O 1.751712 1.749978 -1.466695
O -1.077481 -0.552592 3.952222
O 3.521966 0.476626 1.944572
O -3.798846 -0.860051 -0.827000
O 2.776379 -2.785347 0.204638
O -1.737001 3.538687 -1.787154
O 3.107011 0.564109 -2.951216
C -0.572684 -0.034067 1.272471
C 0.967497 0.030851 1.092156
C -1.311980 0.191581 -0.061074
C 1.424634 -0.403820 -0.308993
C -0.530057 1.136081 -0.997351
C 0.854169 0.568314 -1.367165
C -1.183043 -1.502320 3.149978
C 2.923014 -0.494940 2.453319
C -3.787188 0.209971 -0.186451
C 1.648808 -2.865505 -0.324382
C -1.864846 2.548205 -2.533686
C 2.884985 1.605297 -2.298735
C -1.513909 -2.938591 3.480952
C 3.475391 -1.510439 3.417444
C -4.981961 1.027044 0.248372
C 0.906432 -4.122981 -0.706878
C -2.609426 2.484301 -3.846991
C 3.733884 2.850649 -2.239448
H -0.883294 0.717719 2.020076
H 1.308502 1.078573 1.221158
H -1.505838 -0.777006 -0.555092
H 2.525094 -0.442553 -0.369637
H -0.424498 2.136013 -0.534110
H 0.820038 0.043432 -2.337644
H -2.261990 -3.337712 2.776562
H -1.885212 -3.007464 4.513571
H -0.601233 -3.554007 3.383175
H 2.732879 -1.761580 4.191826
H 4.398410 -1.129140 3.877654
H 3.705155 -2.431865 2.851139
H -4.864038 2.076142 -0.071764
H -5.901058 0.599168 -0.176564
H -5.051803 1.029985 1.350451
H 0.644108 -4.101373 -1.778304
H 1.527730 -5.003580 -0.491011
H -0.039538 -4.178804 -0.140083
H -3.354470 1.670800 -3.823168
H -3.103928 3.446498 -4.041609
H -1.906142 2.256734 -4.667095
H 3.105289 3.754683 -2.283156
H 4.281248 2.873238 -1.279404
H 4.460031 2.845362 -3.065048


