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Not recognising family since 3.12 update #813

@calvinp0

Description

@calvinp0

Describe the bug
The reaction [O]C(=C=O)C=O + C1CO1 <=> O=C=C(O)C=O + [CH]1CO1 was originally identified as an H Abstraction reaction in ARC 3.7

However, since moving to 3.12 and disconnecting from RMG - it is now not recognised with any family if one includes the XYZs in the species when creating an ARCReaction.

allow_nonisomorphic_2d: true
compute_thermo: false
job_types:
  fine: true
  freq: true
  irc: false
  opt: true
  rotors: true
  sp: true
opt_level:
  method: wb97xd
  basis: def2tzvp
freq_level:
  method: wb97xd
  basis: def2tzvp
scan_level:
  method: wb97xd
  basis: def2tzvp
sp_level:
  method: DLPNO-CCSD(T)-F12
  basis: cc-pVTZ-F12
  auxiliary_basis: aug-cc-pVTZ/C cc-pVTZ-F12-CABS
project: rxn_10218
reactions:
- label: _O_C(=C=O)C=O + C1CO1 <=> O=C=C(O)C=O + _CH_1CO1
skip_nmd: true
species:
- label: _O_C(=C=O)C=O
  smiles: '[O]C(=C=O)C=O'
- label: C1CO1
  smiles: C1CO1
- label: O=C=C(O)C=O
  smiles: O=C=C(O)C=O
- label: _CH_1CO1
  smiles: '[CH]1CO1'
R1H
C1CO1
C       0.09620000   -0.66860000    0.44160000
C       0.03240000   -0.04470000   -0.86630000
O      -0.15040000    0.67160000    0.38390000
H       1.11070000   -0.85450000    0.78800000
H      -0.62170000   -1.32840000    0.92420000
H       0.96080000    0.17890000   -1.37800000
H      -0.87000000   -0.11020000   -1.46390000

R2H
O=C[C-](O)C#[O+]
O      -0.43500000   -1.52130000   -0.12000000
C      -0.04380000   -0.25230000    0.01860000
C      -0.02540000    0.28510000    1.25510000
O       0.02630000    0.73050000    2.30950000
C       0.33380000    0.62050000   -1.08760000
O       0.26190000    0.29560000   -2.24710000
H       0.69020000    1.62670000   -0.78840000
H      -1.33680000   -1.54280000   -0.44860000

R2
O=[C]C(=O)C=O
O       0.29570000    1.77440000   -0.26520000
C       0.17750000    0.55090000   -0.06550000
C       1.31330000   -0.20160000    0.29380000
O       2.28190000   -0.72480000    0.57870000
C      -1.05990000   -0.26830000   -0.15870000
O      -1.05780000   -1.45280000    0.05740000
H      -1.96320000    0.30070000   -0.43910000

R1
[CH]1CO1
C       0.82440000   -0.23630000   -0.27650000
C      -0.57340000    0.04920000   -0.06040000
O       0.26950000   -0.66510000    0.88320000
H       1.70870000    0.39350000   -0.29280000
H      -0.90430000    1.02050000    0.29510000
H      -1.32490000   -0.56180000   -0.54860000

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