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

mn(ii)(h2o)6r   3262 Mn(H2O)6, 2+ion (Geo)

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    #  Species Formula
  3252 Manganese phenanthroline tetrahydrate (Geo)C12H16N2O4Mn
  3253 Mn(CO)(NO)3CN3O4Mn
  3254 Mn(CO)(NO)3 (Geo)CN3O4Mn
  3255 Mn(CO)5C5O5Mn
  3256 Mn(CO)5HHC5O5Mn
  3257 Mn(CO)5H (Geo)HC5O5Mn
  3258 Mn(CO)5CH3C6H3O5Mn
  3259 Mn(CO)5(C6H5)C11H5O5Mn
  3260 Mn(CO)5(C6H5CH2)C12H7O5Mn
  3261 Mn(II)(H2O)6H12O6Mn
  3262 Mn(H2O)6, 2+ion (Geo) H12O6Mn
  3263 Manganese hexacarbonyl, cationC6O6Mn
  3264 Manganese hexacarbonyl, cation (Geo)C6O6Mn
  3265 Mn(CO)5COCH3C7H3O6Mn
  3266 Mn(CO)5(C6H5CO)C12H5O6Mn
  3267 Mn(acac)3C15H21O6Mn
  3268 Mn(II)O4N2 (XOYHAU) (Geo)C12H12N2O6Mn
  3269 Mn(III)EDTA(-) (EDTMNK01) (Geo)C10H12N2O8Mn
  3270 Mn(III)EDTA(-) (EDTMNK01)C10H12N2O8Mn
  3271 Mn(III)O6(-) (KAMMND) (Geo)C6H8O10Mn
  3272 Mn(III)O6(-) (KAMMND)C6H8O10Mn


REF: http://www.oldenbourg.de/verlag/zkristallogr/mn-ncsfi2000.htm.
  
 RELSCF=100 SHIFT=20 UHF SEXTET CHARGE=2 SYMMETRY PM7
Mn(H2O)6, 2+ion
 <Mn-O> <Mn-O> <Mn-O> GR=NIK2000
 Mn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.13800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.18900000 +1   90.0000000 +0    0.0000000 +0     1     2     0
  O     2.20400000 +1   90.0000000 +0   90.0000000 +0     1     2     3
  O     2.18900000 +0   90.0000000 +0  180.0000000 +0     1     2     3
  O     2.20400000 +0   90.0000000 +0  -90.0000000 +0     1     2     3
  O     2.13800000 +0  180.0000000 +0    0.0000000 +0     1     2     3
  H     1.02552072 +1   99.3861614 +1   81.3687992 +1     2     1     3
  H     1.02561109 +1   99.5468261 +1 -178.8416759 +1     2     1     3
  H     1.02564240 +1   99.5493683 +1   -1.6808865 +1     7     1     3
  H     1.02553665 +1   99.3402264 +1   98.1031743 +1     7     1     3
  H     1.00782074 +1  111.4061436 +1  107.1871636 +1     4     1     3
  H     1.00830373 +1  111.0520358 +1   -2.1368663 +1     4     1     3
  H     1.00795855 +1  111.3074269 +1   72.8247520 +1     6     1     3
  H     1.00852790 +1  110.8564403 +1 -178.0195488 +1     6     1     3
  H     1.01025569 +1  109.0591193 +1   23.3217855 +1     3     1     2
  H     1.01164606 +1  108.6468763 +1  -83.3695610 +1     3     1     2
  H     1.01052688 +1  109.0525442 +1  157.7836852 +1     5     1     2
  H     1.01164700 +1  108.6824466 +1  -95.5781841 +1     5     1     2