Accuracy

sr(ii)o6n2(2plus) (sutziq)   4503 Sr(II)O6N2(2+) (SUTZIQ)

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    #  Species Formula
  4493 Sr(II)N8(2+) (TAQNAA)C8H32N8Sr
  4494 Sr(II)N9(2+) (TAPMOM) (Geo)C12H39N9Sr
  4495 Strontium oxide (Geo)OSr
  4496 Strontium oxideOSr
  4497 Strontium hydroxide radical (Geo)HOSr
  4498 Strontium di-hydroxideH2O2Sr
  4499 Sr(II)(Cp)2O2 (VOLNOZ) (Geo)C26H42O2Sr
  4500 Sr(II)(H2O)6H12O6Sr
  4501 Sr(II)(H2O)6 (Geo)H12O6Sr
  4502 Sr(II)O6N2(2+) (SUTZIQ) (Geo)C12H30N2O6Sr
  4503 Sr(II)O6N2(2+) (SUTZIQ) C12H30N2O6Sr
  4504 Sr(II)O8(2+) (POXKOC) (Geo)H16O8Sr
  4505 Sr(II)O8(2+) (POXKOC)H16O8Sr
  4506 Sr(II)O9(2+) (WAZFUY) (Geo)C12H36N6O9Sr
  4507 Sr(II)O9(2+) (WAZFUY)C12H36N6O9Sr
  4508 Sr(II)O8(2+) (NASYEL) (Geo)C10H30O10Sr
  4509 Sr(II)O8(2+) (NASYEL)C10H30O10Sr
  4510 Strontium fluorideFSr
  4511 Sr(II)(H2O)5.FH10O5FSr
  4512 Sr(II)(H2O)5.F (Geo)H10O5FSr
  4513 Strontium difluorideF2Sr


ΔHf: -64.0 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=2 PM7
Sr(II)O6N2(2+) (SUTZIQ)
 H=-64.0 HR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.76101454 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.24090322 +1  111.4043050 +1    0.0000000 +0     1     2     0
  O     2.23514161 +1  112.5431223 +1 -120.2292277 +1     1     2     3
  H     2.79156230 +1   73.9347762 +1 -160.7104706 +1     1     2     4
  O     2.23741108 +1   68.1540120 +1 -139.4109753 +1     1     2     5
  H     0.98810424 +1  113.6113972 +1  105.0040995 +1     6     1     2
  C     1.48101457 +1  106.0393412 +1  175.6687816 +1     2     1     3
  H     1.11589549 +1  113.2677481 +1  153.8526088 +1     8     2     1
  H     1.11366081 +1  110.0858303 +1  117.8084842 +1     8     2     9
  C     1.53816130 +1  108.5753609 +1  119.9314438 +1     8     2    10
  H     1.10649919 +1  112.9767565 +1   56.4587714 +1    11     8     2
  H     1.10777212 +1  111.8516315 +1  124.2301526 +1    11     8    12
  C     1.48100531 +1  106.2144248 +1  120.0029983 +1     2     1     8
  H     1.11374206 +1  110.0864967 +1  -88.4209001 +1    14     2     1
  H     1.11567549 +1  113.2877261 +1 -117.8078291 +1    14     2    15
  C     1.53801476 +1  108.5333257 +1 -122.3003999 +1    14     2    16
  H     1.10650103 +1  112.9838134 +1   56.4834499 +1    17    14     2
  H     1.10782052 +1  111.8793123 +1  124.2671091 +1    17    14    18
  C     1.48097612 +1  106.0930286 +1  120.0415771 +1     2     1    14
  H     1.11372508 +1  110.0452966 +1  -88.1883708 +1    20     2     1
  H     1.11574722 +1  113.2811147 +1 -117.7904006 +1    20     2    21
  C     1.42607293 +1  118.3718186 +1 -132.7041100 +1     6     1     7
  H     1.10646285 +1  102.8614366 +1  -62.7026879 +1    23     6     1
  H     1.10788821 +1  108.8567891 +1 -116.1674347 +1    23     6    24
  H     0.98809008 +1  113.5454307 +1   74.8147054 +1     3     1     2
  C     1.42592801 +1  118.3225499 +1  132.6245005 +1     3     1    26
  C     1.53812455 +1  110.2766584 +1  -58.3513687 +1    27     3     1
  N     1.48087889 +1  108.5263820 +1   57.8990410 +1    28    27     3
  H     0.98788403 +1  113.8033387 +1   74.3266715 +1     4     1     2
  C     1.42594712 +1  118.4131740 +1  133.1520599 +1     4     1    30
  C     1.48089807 +1  112.6064590 +1   84.0197522 +1    29    28    27
  C     1.48076521 +1  112.6135824 +1  128.6755449 +1    29    28    32
  H     1.11382358 +1  110.1270824 +1 -155.6650841 +1    33    29    28
  H     1.11580776 +1  113.2816912 +1  117.7982365 +1    33    29    34
  C     1.53809597 +1  108.5301694 +1  122.2363255 +1    33    29    35
  O     1.42589568 +1  110.2890830 +1   57.9214687 +1    36    33    29
  H     0.98795236 +1  110.9573618 +1   75.5634949 +1    37    36    33
  H     1.10658945 +1  112.9651527 +1 -114.4563409 +1    36    33    37
  H     1.10774555 +1  111.8659856 +1 -124.2599162 +1    36    33    39
  H     1.11376962 +1  110.0567837 +1  -27.5990008 +1    32    29    28
  H     1.11566431 +1  113.2895860 +1  117.8120094 +1    32    29    41
  H     1.10649798 +1  102.8486719 +1   62.4954703 +1    31     4     1
  H     1.10781314 +1  108.8560756 +1  116.2026116 +1    31     4    43
  H     1.11561121 +1  109.8681208 +1  124.3821126 +1    28    27    29
  H     1.11386010 +1  109.5461605 +1  115.4308709 +1    28    27    45
  H     1.10648782 +1  102.8606708 +1  120.7638161 +1    27     3    28
  H     1.10782843 +1  108.8363001 +1  116.1696918 +1    27     3    47
  O     1.42587420 +1  110.2551985 +1  121.2970108 +1    11     8    13
  H     0.98776779 +1  110.9813213 +1  -76.1256328 +1    49    11     8
  O     0.98839794 +1   47.2553191 +1  -69.0347462 +1     5     1     2