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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-6-673

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ROOT
- CASSCF_output_files
  - CASSCF-TS-Me-Radical
  - CASSCF-diradicoloids
    - ABO
    - benzyne
    - cubene
    - cyclohexadiene-O-1
    - cyclohexadiene-O-2
    - cyclohexyne
    - cyclooctyne
    - quadricyclene
  - CASSCF-test-set-ground
- Gaussian_output_files
  - Me_radical_test_set
    - Product-Opt
    - Product-SP
    - TS-DIAS
    - TS-IRC
    - TS-Opt
    - TS-SP
    - TS-Stable
  - diradicaloids
    - Opt
    - SP
  - diradicaloids_test_set
    - ABO-complete
      - IRC
      - Opt
      - SP
    - ABO2-complete
      - IRC
      - Opt
      - SP
    - benzyne-incomplete
      - IRC
      - Opt
      - SP
    - cubene-complete
      - IRC
      - Opt
      - SP
    - cyclic-allene-O-1-complete
      - IRC
      - Opt
      - SP
    - cyclic-allene-O-2-complete
      - IRC
      - Opt
      - SP
    - cyclic-allene-complete
      - IRC
      - Opt
      - SP
    - cyclohexatriene-incomplete
      - IRC
      - Opt
      - SP
    - cyclohexyne-complete
      - IRC
      - Opt
      - SP
    - cyclooctyne-incomplete
      - IRC
      - Opt
      - SP
  - test_set_A-L
    - Opt
    - SP

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