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

k(i)o7 (legxok)   2696 K(I)O7 (LEGXOK)

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    #  Species Formula
  2686 K(+)(H2O)5.OHH11O6K
  2687 K(I)(H2O)6(+) (GUGNUR)H12O6K
  2688 K(+)-18-crown-6 (KEGXID) (Geo)C12H24O6K
  2689 K(I)O6(+) (AQEPIV) (Geo)C12H24O6K
  2690 K(I)O6(+) (AQEPIV)C12H24O6K
  2691 K(I)O6N (YAKWOX) (Geo)C16H28NO6K
  2692 K(I)O6N (YAKWOX)C16H28NO6K
  2693 K(I)O6N2(+) (GAZGIX) (Geo)C18H36N2O6K
  2694 K(I)O6N2(+) (GAZGIX)C18H36N2O6K
  2695 K(I)O7 (LEGXOK) (Geo)C20H31O7K
  2696 K(I)O7 (LEGXOK) C20H31O7K
  2697 Nonactin-potassium thiocyanate (NONKCS) (Geo)C40H64O12K
  2698 Potassium fluoride (Geo)FK
  2699 Potassium fluorideFK
  2700 K(+)(H2O)5.FH10O5FK
  2701 Potassium trifluoroberyllateBeF3K
  2702 KBF4 (Geo)BF4K
  2703 Neon potassium cation (Geo)NeK
  2704 KAlF4 (Geo)F4AlK
  2705 KHSO4 (corrected for PW91D error in H2SO4)HO4SK
  2706 K(I)O5N3 (POZTCK) (Geo)C17H32N3O5SK


ΔHf: -289.7 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.
  
 PM7
K(I)O7 (LEGXOK)
 H=-289.7 HR=PW91D
  K     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.46186752 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.08341805 +1   76.7265565 +1    0.0000000 +0     1     2     0
  O     3.01388489 +1   57.5383152 +1  -93.6465463 +1     3     1     2
  O     3.55338582 +1  121.5468176 +1   83.8102864 +1     4     3     1
  O     3.42225036 +1  116.7973641 +1   14.7221303 +1     5     4     3
  O     5.75804135 +1   40.1320483 +1  -32.2076603 +1     1     2     3
  C     2.46193514 +1   95.0456779 +1  136.4869496 +1     3     1     4
  C     1.53061399 +1   31.8622226 +1  142.3276671 +1     8     3     1
  C     1.42737603 +1   97.9163200 +1 -100.7299645 +1     3     1     8
  C     1.52777527 +1  104.6188075 +1  -71.4506026 +1    10     3     1
  C     1.41356410 +1  140.5544029 +1   17.2081521 +1     4     3     5
  C     1.42189964 +1   31.1626228 +1   13.6945559 +1     5     4     6
  C     1.41257493 +1  145.5787425 +1   14.5915133 +1     5     4    13
  C     1.41482034 +1   37.0317398 +1 -131.9969467 +1     6     5     4
  C     1.41662892 +1   95.5169919 +1  125.8358807 +1     6     5    15
  C     1.41494666 +1  115.3486909 +1  -49.5593948 +1     7     1     2
  C     1.41716107 +1   98.5998625 +1  123.1465289 +1     7     1    17
  C     1.53291275 +1  110.6798764 +1  -31.2792430 +1    18     7     1
  C     2.33284181 +1   87.3441984 +1  173.8239123 +1     2     1     3
  C     1.39489253 +1  123.0096837 +1 -102.6272028 +1    20     2    19
  C     1.39294815 +1  119.8668623 +1 -142.1461012 +1    21    20     2
  C     1.39451832 +1  120.0312671 +1   -0.0602521 +1    22    21    20
  C     1.39405072 +1  120.0042144 +1   -0.4307946 +1    23    22    21
  C     1.39407468 +1  107.5824919 +1 -146.5943464 +1    20     2    21
  C     1.27938947 +1  122.4896400 +1 -177.2176751 +1     2     1     3
  C     1.34938000 +1  125.4737528 +1  165.0140390 +1    26     2     1
  H     1.10586017 +1  132.7882134 +1  -56.6050156 +1     8     3     9
  H     1.10938310 +1   82.0472386 +1 -107.9154389 +1     8     3    28
  H     1.10580179 +1  111.8960137 +1 -113.9238003 +1     9     8     3
  H     1.10622487 +1  110.8517033 +1 -121.9843339 +1     9     8    30
  H     1.11129678 +1  108.6341871 +1  121.7497443 +1    10     3    11
  H     1.10443307 +1  110.4515510 +1  118.1376822 +1    10     3    32
  H     1.11047501 +1  111.0075540 +1  -28.5656423 +1    11    10     3
  H     1.10237339 +1  111.5690053 +1 -122.0412584 +1    11    10    34
  H     1.10272935 +1  109.8398756 +1  110.9649959 +1    12     4     3
  H     1.10903506 +1  102.2875160 +1  115.3211071 +1    12     4    36
  H     1.10130677 +1  111.9814328 +1  139.1026484 +1    13     5     4
  H     1.11060539 +1  107.9958209 +1  119.4252676 +1    13     5    38
  H     1.10377639 +1  110.9918283 +1   42.7098707 +1    14     5     4
  H     1.10740625 +1  101.0740992 +1  115.3456571 +1    14     5    40
  H     1.10763845 +1  112.2528947 +1   92.2236129 +1    15     6     5
  H     1.10675827 +1  102.2124170 +1  115.6867783 +1    15     6    42
  H     1.10434424 +1  104.1348230 +1 -157.0696712 +1    16     6     5
  H     1.10932213 +1  112.6985968 +1  117.1660694 +1    16     6    44
  H     1.10165877 +1  110.8583740 +1  161.0234114 +1    17     7     1
  H     1.10717894 +1  102.4627902 +1  115.4279456 +1    17     7    46
  H     1.10912296 +1  102.7132634 +1  118.0907727 +1    18     7    19
  H     1.10095452 +1  111.3133601 +1  116.0649993 +1    18     7    48
  H     1.11244127 +1  111.6726998 +1   -0.5532763 +1    19    18     7
  H     1.10389124 +1  112.7093766 +1 -122.6071070 +1    19    18    50
  H     1.08892345 +1  119.6431154 +1 -178.8707414 +1    21    20    22
  H     1.08724677 +1  120.0112257 +1 -179.3322174 +1    22    21    23
  H     1.08674772 +1  119.9545302 +1 -179.1978833 +1    23    22    24
  H     1.08788441 +1  120.0590857 +1 -178.7766927 +1    24    23    22
  H     1.09339244 +1  120.0881501 +1  -33.8016865 +1    25    20     2
  O     1.41637229 +1  115.0186759 +1 -110.5313014 +1     8     3    29
  H     1.06690101 +1  123.4546563 +1  178.9147171 +1    27    26     2
  H     1.06745751 +1  122.8764585 +1  178.3582294 +1    27    26    58