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

k(i)o6n2(plus) (gazgix)   2694 K(I)O6N2(+) (GAZGIX)

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    #  Species Formula
  2684 KNO3.2H2O (Geo)H4NO5K
  2685 K(+)(H2O)5.OH (Geo)H11O6K
  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


ΔHf: -175.1 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
K(I)O6N2(+) (GAZGIX)
 H=-175.1 HR=PW91D
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  K     3.00953415 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.01936200 +1   60.5956610 +1    0.0000000 +0     2     1     0
  O     2.98931301 +1   60.6419932 +1 -174.2629541 +1     3     2     1
  O     3.02097420 +1   60.5552890 +1 -119.9283949 +1     2     1     3
  O     2.98883194 +1   60.5291313 +1 -174.2537755 +1     5     2     1
  O     3.02321331 +1   60.5430231 +1 -119.9446388 +1     2     1     5
  O     3.02875712 +1  119.4854622 +1   -5.6394568 +1     2     1     7
  N     3.04265357 +1   59.5018314 +1 -179.9862995 +1     8     2     1
  C     1.48818676 +1  108.3349506 +1   -5.3541272 +1     1     2     3
  C     1.42406087 +1  103.9310888 +1  141.1200255 +1     3     2     4
  C     1.42450276 +1  105.7468597 +1 -119.4557492 +1     3     2    11
  C     1.42431292 +1   49.7051489 +1 -152.1646584 +1     4     3     2
  C     1.42408952 +1  140.2312626 +1   77.8478855 +1     4     3    13
  C     1.48832998 +1  129.1868663 +1   90.1034340 +1     9     8     2
  C     1.48820035 +1  108.4035886 +1  119.9739781 +1     1     2    10
  C     1.42403377 +1  103.9425453 +1  141.0767491 +1     5     2     6
  C     1.42435464 +1  105.6565895 +1 -119.4324088 +1     5     2    17
  C     1.42418078 +1   49.7190472 +1 -152.1665066 +1     6     5     2
  C     1.42402638 +1  140.4389622 +1   77.6783876 +1     6     5    19
  C     1.48830689 +1  120.1513505 +1  174.9877354 +1     9     8    15
  C     1.48825948 +1  108.4434948 +1  120.0138615 +1     1     2    16
  C     1.42404537 +1  103.8610351 +1  -33.2367319 +1     7     2     1
  C     1.42444971 +1  105.6298295 +1 -119.3985934 +1     7     2    23
  C     1.42424729 +1  105.4558790 +1 -152.6363581 +1     8     2     9
  C     1.42389815 +1  103.7187959 +1  119.2923197 +1     8     2    25
  C     1.48835270 +1   48.6652049 +1  -91.6353237 +1     9     8    21
  H     1.11228642 +1  112.4404765 +1  166.2573361 +1    10     1     2
  H     1.11698675 +1  108.9089607 +1  117.6497076 +1    10     1    28
  H     1.10372244 +1  109.7969305 +1  -53.0258993 +1    11     3     2
  H     1.10648245 +1  109.1090166 +1 -119.7471177 +1    11     3    30
  H     1.10615599 +1  110.4592852 +1   58.0391005 +1    12     3     2
  H     1.10526940 +1  108.9541626 +1  120.4308842 +1    12     3    32
  H     1.10534239 +1  108.8910943 +1 -156.6101054 +1    13     4     3
  H     1.10618433 +1  110.5324536 +1 -120.4121839 +1    13     4    34
  H     1.10652524 +1  109.0769146 +1 -113.1681282 +1    14     4     3
  H     1.10369097 +1  109.8615843 +1  119.7427876 +1    14     4    36
  H     1.11231373 +1  112.4293788 +1   99.9864844 +1    15     9     8
  H     1.11690168 +1  108.9452525 +1  117.6905716 +1    15     9    38
  H     1.11693790 +1  108.9301308 +1  -76.1343917 +1    16     1     2
  H     1.11231818 +1  112.4308748 +1 -117.6374929 +1    16     1    40
  H     1.10646817 +1  109.0954631 +1 -172.7585155 +1    17     5     2
  H     1.10373515 +1  109.8080955 +1  119.7433834 +1    17     5    42
  H     1.10525328 +1  108.9722679 +1  178.5150593 +1    18     5     2
  H     1.10621132 +1  110.4674442 +1 -120.4222047 +1    18     5    44
  H     1.10530941 +1  108.9190490 +1 -156.5947501 +1    19     6     5
  H     1.10617232 +1  110.5259315 +1 -120.4114192 +1    19     6    46
  H     1.10644365 +1  109.0876170 +1 -113.0259603 +1    20     6     5
  H     1.10369910 +1  109.8501426 +1  119.7416483 +1    20     6    48
  H     1.11227506 +1  112.4362787 +1 -128.4422012 +1    21     9     8
  H     1.11701107 +1  108.9223149 +1  117.6373145 +1    21     9    50
  H     1.11695871 +1  108.9145728 +1  -76.2064805 +1    22     1     2
  H     1.11232971 +1  112.4295729 +1 -117.6409404 +1    22     1    52
  H     1.10371425 +1  109.8177520 +1  -52.9876519 +1    23     7     2
  H     1.10651938 +1  109.0902713 +1 -119.7478639 +1    23     7    54
  H     1.10618192 +1  110.4817669 +1   58.1164242 +1    24     7     2
  H     1.10530847 +1  108.9251482 +1  120.4075281 +1    24     7    56
  H     1.10613763 +1  110.4985768 +1   58.1851239 +1    25     8     2
  H     1.10535550 +1  108.9146292 +1  120.3888134 +1    25     8    58
  H     1.10365437 +1  109.8365534 +1  -52.7881998 +1    26     8     2
  H     1.10651820 +1  109.1028626 +1 -119.7517646 +1    26     8    60
  H     1.11227097 +1  112.4309420 +1  160.2081503 +1    27     9     8
  H     1.11707194 +1  108.8877012 +1  117.6220739 +1    27     9    62