PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

fe(ii)(h2o)6_r   3376 Fe(II)(H2O)6, 2+ion (Geo)

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    #  Species Formula
  3366 FeN3O2C16H11N5O4Fe
  3367 FeN3O2 (Geo)C16H11N5O4Fe
  3368 Fe(CO)5 (FOJBOV) (Geo)C5O5Fe
  3369 Fe(CO)5 (FOJBOV)C5O5Fe
  3370 FeCp(CO)2(NO3) (CNOFEA) (Geo)C7H5NO5Fe
  3371 FeCp(CO)2(NO3) (CNOFEA)C7H5NO5Fe
  3372 Fe(II)(H2O)4(OH)2 (Geo)H10O6Fe
  3373 Fe(II)(H2O)5.OH (Geo)H11O6Fe
  3374 Fe(III)(H2O)6 (Geo)H12O6Fe
  3375 Fe(III)(Water)6 2TgH12O6Fe
  3376 Fe(II)(H2O)6, 2+ion (Geo) H12O6Fe
  3377 Fe(CO)3C2 (FCPENO) (Geo)C8H2O6Fe
  3378 Fe(CO)3C2 (FCPENO)C8H2O6Fe
  3379 Bis(acetylacetonateo) diaqua iron(III) (Geo)C10H18O6Fe
  3380 Fe(II)(Acac)3 anionC15H21O6Fe
  3381 Diaqua-bis(a-pyridinecarboxylato)-iron(ii) (TUBWES) (Geo)C12H12N2O6Fe
  3382 Diaqua-bis(pyrazine-carboxylato)-iron(II) (Geo)C10H10N4O6Fe
  3383 Iron(III) EDTA (Geo)C10H12N2O8Fe
  3384 Iron(III) EDTAC10H12N2O8Fe
  3385 Aqua-(ethylenediaminetriacetatoacetic_acid-N,N',O,O',O'')-iron(iii) (EDTAFE10) (Geo)C10H15N2O9Fe
  3386 Fe(III)(Ox)3C6O12Fe


REF: http://www.oldenbourg.de/verlag/zkristallogr/mn-ncsfi2000.htm.
  
 ALLVECS CHARGE=2 UHF QUINTET SYM PM7
Fe(II)(H2O)6, 2+ion
 <Fe-O> <Fe-O> <Fe-O> GR=NIK2000
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.07400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.15500000 +1   90.0000000 +0    0.0000000 +0     1     2     0
  O     2.15900000 +1   90.0000000 +0   90.0000000 +0     1     2     3
  O     2.15500000 +0   90.0000000 +0  180.0000000 +0     1     2     3
  O     2.15900000 +0   90.0000000 +0  -90.0000000 +0     1     2     3
  O     2.07400000 +0  180.0000000 +0    0.0000000 +0     1     2     3
  H     0.98857578 +1  127.0791774 +1    0.0126816 +1     2     1     3
  H     0.98855064 +1  127.0122826 +1 -179.9987631 +1     2     1     3
  H     0.98855816 +1  127.0770483 +1   -0.0098226 +1     7     1     3
  H     0.98852530 +1  127.0262311 +1  179.9963635 +1     7     1     3
  H     0.97321429 +1  126.2449898 +1   89.9964415 +1     4     1     3
  H     0.97317880 +1  126.1819539 +1  -89.9911253 +1     4     1     3
  H     0.97320644 +1  126.1747251 +1   89.9916447 +1     6     1     3
  H     0.97322729 +1  126.2413843 +1  -90.0029122 +1     6     1     3
  H     0.97492863 +1  126.5524668 +1   89.9812089 +1     3     1     2
  H     0.97495850 +1  126.6115087 +1  -90.0134166 +1     3     1     2
  H     0.97493832 +1  126.6146695 +1   90.0107642 +1     5     1     2
  H     0.97490899 +1  126.5601319 +1  -89.9809201 +1     5     1     2