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

lanthanum(ii) tetracyanide 2e   6369 Lanthanum(II) tetracyanide 2E

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    #  Species Formula
  6359 Barium dibromide (Geo)Br2Ba
  6360 Barium dibromideBr2Ba
  6361 Barium monoiodideIBa
  6362 Barium diiodide (Geo)I2Ba
  6363 Barium diiodideI2Ba
  6364 Lanthanum, cationLa
  6365 Lanthanum, atomLa
  6366 Trimethyl lanthanum (Geo)C3H9La
  6367 Trimethyl lanthanumC3H9La
  6368 Tricyclopentadienyl lanthanum(III)C15H15La
  6369 Lanthanum(II) tetracyanide 2E C4N4La
  6370 La(II)(NH3)6H18N6La
  6371 La(II)(NH3)6 (Geo)H18N6La
  6372 Lanthanum complex, CCDC: XONXUT (Geo)C45H33N9La
  6373 Lanthanum complex, CCDC: ZAZQAS (Geo)C76H44N12La
  6374 Lanthanum complex, CCDC: ZEHTUB (Geo)C64H32N16La
  6375 Lanthanum complex, CCDC: TUPWEG (Geo)C72H40N16La
  6376 Lanthanum complex, CCDC: EGOBAD (Geo)C27H30B3N18La
  6377 La(III)(Cp)3O (PEWXUK) (Geo)C21H27O2La
  6378 Lanthanum complex, CCDC: NEHDAF (Geo)C26H42N8O2La
  6379 Lanthanum complex, CCDC: NAVCOC (Geo)C30H44B2N13O3La


For electronic state 1,2,E
ΔHf: 0.0 kcal/mol,     REF: Presumed ground state.
  
 SYMMETRY CHARGE=-2 OPEN(1,5) MECI ALLVECS PM7
Lanthanum(II) tetracyanide 2E
 ROOT=1,2,E H=0 HR=GS
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 La     2.74013093 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.74013093 +0  109.4712210 +0    0.0000000 +0     2     1     0
  C     2.74013093 +0  109.4712210 +0  120.0000000 +0     2     1     3
  C     2.74013093 +0  109.4712210 +0 -120.0000000 +0     2     1     3
  N     1.15817026 +1  180.0000000 +0    0.0000000 +0     1     2     3
  N     1.15817026 +0  180.0000000 +0    0.0000000 +0     3     2     1
  N     1.15817026 +0  180.0000000 +0    0.0000000 +0     4     2     3
  N     1.15817026 +0  180.0000000 +0    0.0000000 +0     5     2     3