Accuracy

li(i)o6(plus) (lolnop01)   1450 Li(I)O6(+) (LOLNOP01)

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    #  Species Formula
  1440 Li(+)(H2O)6 (Geo)H12LiO6
  1441 B3O3(OH)3H3B3O6
  1442 Tri-acetyl borate (Geo)H9BC6O6
  1443 Tri-acetyl borateH9BC6O6
  1444 Trimethyl methanetricarboxylateC7H10O6
  1445 Triethyl methanetricarboxylateC10H16O6
  1446 Triethyl 1,1,1-ethanetricarboxylateC11H18O6
  1447 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1448 Li(I)O6(+) (COLGEP)H30LiC12O6
  1449 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (LOLNOP01) H30LiC12O6
  1451 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1452 Li(I)O4 (FECWIT)H10LiC6NO6
  1453 Trinitromethane (Geo)HCN3O6
  1454 TrinitromethaneHCN3O6
  1455 1,1,1-TrinitroethaneC2H3N3O6
  1456 2,4,6-TrinitrotolueneC7H5N3O6
  1457 2-(Diacetoxymethyl)-5-nitrofuranC9H9NO7
  1458 ASP-ASPC8H11N2O7
  1459 2,4,6-TrinitroanisoleC7H5N3O7
  1460 2,4,6-TrinitrophenetoleC8H7N3O7


ΔHf: -213.1 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=1 PM7
Li(I)O6(+) (LOLNOP01)
 H=-213.1 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.25524095 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.26796777 +1   75.5727812 +1    0.0000000 +0     1     2     0
  O     2.25638811 +1  156.6808048 +1  -55.5109481 +1     1     2     3
  O     2.26579617 +1   90.6004628 +1  -52.6113012 +1     1     2     4
  O     2.25209860 +1  107.5830161 +1 -165.4281357 +1     1     2     5
  O     2.26415846 +1   90.7915448 +1   75.1527022 +1     1     2     6
  C     1.41695717 +1  121.3373547 +1 -150.8611594 +1     2     1     3
  C     1.42230357 +1  107.3562823 +1  132.1129688 +1     2     1     8
  C     1.42259900 +1  106.7949657 +1  -19.0634634 +1     3     1     2
  C     1.41680766 +1  121.8698539 +1 -132.0477405 +1     3     1    10
  C     1.41688162 +1  121.8439151 +1  153.2836375 +1     4     1     2
  C     1.42223267 +1  107.3439755 +1  132.6177129 +1     4     1    12
  C     1.42220854 +1  107.0435599 +1  142.2279778 +1     5     1     2
  C     1.41679887 +1  122.4209951 +1 -132.9390789 +1     5     1    14
  C     1.41700143 +1  122.2990566 +1  100.5526678 +1     7     1     2
  C     1.42257626 +1  106.8835517 +1  132.4522457 +1     7     1    16
  C     1.42219675 +1  107.4727997 +1   67.4938424 +1     6     1     2
  C     1.41677073 +1  121.6808738 +1 -132.6715093 +1     6     1    18
  H     1.10029971 +1  103.9524500 +1  -43.3401611 +1     8     2     1
  H     1.09748082 +1  109.8156941 +1 -117.9787311 +1     8     2    20
  H     1.09518820 +1  111.7315952 +1 -123.3424659 +1     8     2    21
  H     1.10820738 +1  109.8124397 +1  170.5571197 +1     9     2     1
  H     1.10709322 +1  109.4566824 +1  120.0569529 +1     9     2    23
  H     1.10716530 +1  109.3071144 +1  -69.2501888 +1    10     3     1
  H     1.10813282 +1  109.8176069 +1 -119.9384894 +1    10     3    25
  H     1.09530277 +1  111.6560509 +1   74.2511330 +1    11     3     1
  H     1.09734996 +1  109.9138882 +1  123.4146741 +1    11     3    27
  H     1.10011203 +1  103.8932721 +1  118.0121079 +1    11     3    28
  H     1.09747827 +1  109.8083514 +1 -160.8937915 +1    12     4     1
  H     1.10015593 +1  103.9669730 +1  117.9794777 +1    12     4    30
  H     1.09518925 +1  111.7053952 +1  118.6511965 +1    12     4    31
  H     1.10820224 +1  109.8981850 +1  170.6333190 +1    13     4     1
  H     1.10704105 +1  109.3816565 +1  120.1287036 +1    13     4    33
  H     1.10802269 +1  109.9385590 +1  170.5608068 +1    14     5     1
  H     1.10725002 +1  109.2280856 +1  120.0025813 +1    14     5    35
  H     1.09736709 +1  109.8287379 +1 -160.8247377 +1    15     5     1
  H     1.09546524 +1  111.5987343 +1 -123.3454001 +1    15     5    37
  H     1.09993202 +1  104.0170801 +1 -118.5903883 +1    15     5    38
  H     1.09516303 +1  111.7375137 +1   75.5004555 +1    16     7     1
  H     1.10023882 +1  103.9272971 +1 -118.6195356 +1    16     7    40
  H     1.09740346 +1  109.8001050 +1 -117.9969665 +1    16     7    41
  H     1.10721680 +1  109.2940893 +1  -69.3153280 +1    17     7     1
  H     1.10812960 +1  109.8894455 +1 -119.9446107 +1    17     7    43
  H     1.10817189 +1  109.8283833 +1  170.3750177 +1    18     6     1
  H     1.10701816 +1  109.3661073 +1  120.0636556 +1    18     6    45
  H     1.10019050 +1  104.0005550 +1  -43.1026913 +1    19     6     1
  H     1.09521749 +1  111.7037956 +1  118.7165224 +1    19     6    47
  H     1.09759503 +1  109.7940678 +1  123.3070396 +1    19     6    48