Accuracy

Rh(III)N6(3plus) (HOHKEU)   5115 Rh(III)N6(3+) (HOHKEU)

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    #  Species Formula
  5105 Ru2(CO)8 dianionC8O8Ru2
  5106 Rhodium, cationRh
  5107 Rhodium, atomRh
  5108 Rhodium(III) hexacyanide (Geo)C6N6Rh
  5109 Rhodium(III) hexacyanideC6N6Rh
  5110 Rh(III)N6(3+) (CRHENC) (Geo)C6H24N6Rh
  5111 Rh(III)N6(3+) (CRHENC)C6H24N6Rh
  5112 Rh(III)N6(3+) (VENYAO) (Geo)C12H18N6Rh
  5113 Rh(III)N6(3+) (VENYAO)C12H18N6Rh
  5114 Rh(III)N6(3+) (HOHKEU) (Geo)C12H30N6Rh
  5115 Rh(III)N6(3+) (HOHKEU) C12H30N6Rh
  5116 Rhodium(II) oxideORh
  5117 Rhodium(II) oxide (Geo)ORh
  5118 Rh(III)N6(3+) (LEJCUY) (Geo)C18H39N7O2Rh
  5119 Rhodium tetracarbonyl, anion (Geo)C4O4Rh
  5120 Rhodium tetracarbonyl, anionC4O4Rh
  5121 Rh(III)N6 (GOYRER) (Geo)C24H16N6O4Rh
  5122 Rhodium pentacarbonyl, cation (Geo)C5O5Rh
  5123 Rhodium pentacarbonyl, cationC5O5Rh
  5124 Rhodium(III) hexaquo (Geo)H12O6Rh
  5125 Rh(II)(H2O)6H12O6Rh


ΔHf: 649.8 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=3 UHF PM7
Rh(III)N6(3+) (HOHKEU)
 H=649.8 HR=PW91D
 Rh     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.07353757 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.07334824 +1   85.9727520 +1    0.0000000 +0     1     2     0
  C     1.49558910 +1  102.9286228 +1   28.4046290 +1     2     1     3
  C     2.49309068 +1   75.4923383 +1 -131.3475262 +1     2     1     4
  N     1.49585471 +1   86.4615227 +1   23.4285768 +1     5     2     1
  N     2.07400131 +1   95.0623103 +1  -92.6826304 +1     1     2     3
  C     1.49890316 +1  108.6741292 +1  176.2313829 +1     7     1     2
  C     1.53504360 +1  110.5309254 +1  -20.1521867 +1     8     7     1
  N     1.49544251 +1  111.0848163 +1   47.0225084 +1     9     8     7
  C     1.53519299 +1  111.0962060 +1  -47.5822595 +1     4     2     1
  C     1.49554379 +1  102.9466233 +1  114.5713578 +1     3     1     2
  C     1.53530654 +1  111.0886029 +1  -47.5177865 +1    12     3     1
  N     2.07365140 +1   93.0169148 +1  -86.2226806 +1     1     2     7
  C     1.49870945 +1  108.7240850 +1   89.9829593 +1    14     1     2
  C     1.53532770 +1  110.5396394 +1  -20.0580261 +1    15    14     1
  C     1.49560521 +1  102.9214286 +1  119.4927868 +1    14     1    15
  C     1.53523945 +1  111.1005299 +1  -47.5721185 +1    17    14     1
  H     1.04185231 +1  114.2636066 +1 -110.1949727 +1     2     1     5
  H     2.19730425 +1   54.6625378 +1  107.8406827 +1     5     2     6
  H     1.76770982 +1   65.8429851 +1   72.0133393 +1    20     5     2
  H     1.11570190 +1  108.6694206 +1  123.0348914 +1     4     2    11
  H     1.12923004 +1  111.8355598 +1  114.6907073 +1     4     2    22
  H     1.12916728 +1  142.8425575 +1   14.4547058 +1     5     2    20
  H     1.11557463 +1   99.3371613 +1  129.3679148 +1     5     2    24
  H     1.04185995 +1  109.3087380 +1 -145.1565313 +1     6     5     2
  H     1.04189059 +1  114.3842559 +1 -122.0817903 +1     7     1     8
  H     1.12600462 +1  110.7981259 +1 -121.4690360 +1     8     7     9
  H     1.11825255 +1  111.1569497 +1 -115.0575654 +1     8     7    28
  H     1.11576594 +1  111.4882702 +1 -121.4133999 +1     9     8    10
  H     1.12927647 +1  109.1902953 +1 -114.7890732 +1     9     8    30
  H     1.04184041 +1  109.3481863 +1 -169.5409466 +1    10     9     8
  H     1.04192477 +1  114.2841793 +1  118.4446752 +1     3     1    12
  H     1.12609083 +1  109.3894909 +1  169.1095006 +1    11     4     2
  H     1.11822054 +1  110.8187895 +1  114.0380937 +1    11     4    34
  H     1.12914573 +1  111.8299383 +1 -122.2585627 +1    12     3    13
  H     1.11570089 +1  108.6925389 +1 -114.7178307 +1    12     3    36
  H     1.11822209 +1  110.7933240 +1  -76.8436111 +1    13    12     3
  H     1.12600370 +1  109.3902212 +1 -114.0190053 +1    13    12    38
  H     1.04193817 +1  114.3361904 +1  118.4161012 +1    14     1    17
  H     1.11822208 +1  111.1608534 +1  123.4588041 +1    15    14    16
  H     1.12592911 +1  110.8211717 +1  115.0719919 +1    15    14    41
  H     1.12921275 +1  109.1725490 +1  170.6687846 +1    16    15    14
  H     1.11567135 +1  111.4957621 +1  114.8330329 +1    16    15    43
  H     1.12914537 +1  111.8270991 +1 -122.2669574 +1    17    14    18
  H     1.11570793 +1  108.6879998 +1 -114.7034638 +1    17    14    45
  H     1.11817043 +1  110.8074160 +1  -76.7916766 +1    18    17    14
  H     1.12599124 +1  109.3884949 +1 -114.0279353 +1    18    17    47
  C     1.12591779 +1   37.8797318 +1  -39.4269022 +1    21    20     5