cc_index

cc1: RHF-CCSD/6-31G** H2O geometry optimization via analytic gradients
  (all electron, MO-basis <ab|cd>)

cc2: RHF-CCSD/6-31G** H2O geometry optimization via finite differences
  (all electron, MO-basis <ab|cd>)

cc3: RHF-CCSD/6-31G** H2O geometry optimization and vibrational frequency analysis by finite-differences of gradients

cc4: RHF-CCSD(T)/cc-pVQZ BH single-point energy (fzc, MO-basis <ab|cd>)

cc4a: RHF-CCSD(T)/cc-pVQZ BH single-point energy (fzc, MO-basis <ab|cd>),
  using frozen_docc option instead of freeze_core option

cc5: RHF-CCSD(T)/aug-cc-pVTZ planar (C2v) C4NH4 single-point energy
  (fzc, MO-basis <ab|cd>)  Note: one file exceeds 17 GB in this case.

cc5a: RHF-CCSD(T)/cc-pVDZ planar (C2v) C4NH4 single-point energy
  (fzc, MO-basis <ab|cd>) NB: Smaller version of cc5

cc6: RHF-CCSD(T)/cc-pVDZ planar (C2v) C4NH4 single-point energy (fzc, AO-basis <ab|cd>)

cc8: UHF-CCSD(T)/cc-pVDZ 2Sigma+ CN single-point energy (fzc, MO-basis
<ab|cd>)

cc8a: ROHF-CCSD(T)/cc-pVDZ 2Sigma+ CN single-point energy (fzc, MO-basis
<ab|cd>)

cc8b: ROHF-CCSD/cc-pVDZ 2Sigma+ CN single-point energy (fzc, MO <ab|cd>, semican)

cc8c: ROHF-CCSD/cc-pVDZ 2Sigma+ CN single-point energy (fzc, MO-basis <ab|cd>)

cc9: UHF-CCSD(T)/cc-pVDZ 2Sigma+ CN single-point energy (fzc, AO-basis <ab|cd>)

cc9a: ROHF-CCSD(T)/cc-pVDZ 2Sigma+ CN single-point energy (nofzc, AO-basis 
<ab|cd>)

cc10: ROHF-CCSD/cc-pVDZ 2Sigma+ CN single-point energy (fzc, MO-basis <ab|cd>)

cc11: ROHF-CCSD/cc-pVDZ 2Sigma+ CN single-point energy (fzc, AO-basis <ab|cd>)

cc12: RHF-EOM-CCSD/cc-pVDZ on the lowest two states of each irrep in H2O.

cc13: UHF-CCSD/cc-pVDZ 3B1 CH2 geometry optimization via analytic gradients
  (all electron, MO-basis <ab|cd>)

cc13a: UHF-CCSD(T)/cc-pVDZ 3B1 CH2 geometry optimization via analytic gradients

cc14:

cc15: RHF-B-CCD(T)/6-31G** H2O single-point energy (fzc, MO-basis <ab|cd>)

cc16: UHF-B-CCD(T)/cc-pVDZ 2B1 CH2 single-point energy (fzc, MO-basis <ab|cd>)

cc17: UHF-EOM-CCSD/cc-pVDZ on the lowest two states of each irrep in 3B1 CH2.

cc18: RHF-CCSD-LR/cc-pVDZ static polarizabilities of HOF molecule.

cc19: RHF-CCSD-LR/cc-pVDZ dynamic polarizabilities of HOF molecule.

cc21: ROHF-EOM-CCSD/DZ analytic gradient lowest 2A1 excited state of H2O+ 
(B1 excitation)

cc22: ROHF-EOM-CCSD/DZ on the lowest two states of each irrep in 3B1 CH2.

cc23: ROHF-EOM-CCSD/DZ analytic gradient lowest 2B1 state of H2O+ (A1 excitation)

cc24: UHF-EOM-CCSD/DZ analytic gradient lowest 2B1 state of H2O+ (A1 excitation)

cc25: UHF-EOM-CCSD/DZ analytic gradient lowest 2B2 state of H2O+ (A2 excitation)

cc26: RHF-EOM-CCSD/DZ analytic gradient lowest 1A1 state of H2O (A1 excitation)

cc27: RHF-EOM-CCSD/DZ analytic gradient lowest 1B2 state of H2O (B2 excitation)

cc28: RHF-CCSD-LR/cc-pVDZ optical rotation of H2O2.  gauge = length, omega =
(589 355 nm)

cc29: RHF-CCSD-LR/cc-pVDZ optical rotation of H2O2.  gauge = both (length
and velocity), omega = (589 355 nm)

cc30: RHF-CCSD-LR/STO-3G optical rotation of (S)-methyloxirane.  gauge =
length, omega = (633 355 nm)

cc31: RHF-CCSD-LR/STO-3G optical rotation of (S)-methyloxirane.  gauge =
both (length and velocity), omega = (633 355 nm)

cc32: RHF-CC3/cc-pVDZ energy of H2O to match value from Table III of Olsen
et al., JCP 104, 8007 (1996).

cc33: UHF-CC3/cc-pVDZ energy of H2O+.

cc34: RHF-CCSD/cc-pVDZ energy of H2O partitioned into pair energy contributions.

cc35: ROHF-CC3/cc-pVDZ energy of H2O+.

cc36: RHF-CC2/cc-pVDZ energy of H2O.

cc37: UHF-CC2/cc-pVDZ energy of H2O+.

cc38: RHF-CC2-LR/cc-pVDZ static polarizabilities of HOF molecule.

cc39: RHF-CC2-LR/cc-pVDZ dynamic polarizabilities of HOF molecule.

cc40: RHF-CC2-LR/cc-pVDZ optical rotation of H2O2.  gauge = length, omega =
(589 355 nm)

cc41: RHF-CC2-LR/cc-pVDZ optical rotation of H2O2.  gauge = both, omega =
(589 355 nm)

cc42: RHF-CC2-LR/STO-3G optical rotation of (S)-methyloxirane.  gauge =
length, omega = (589 355 nm)

cc43: RHF-CC2-LR/STO-3G optical rotation of (S)-methyloxirane.  gauge =
both, omega = (589 355 nm)

cc44: RHF-EOM-CCSD/aug-cc-pVTZ lowest A1 and B2 excited states of H2O with
only 2.0 MB of memory to test out-of-core algorithms for various ovvv
quantities.

cc45: RHF-EOM-CC2/cc-pVDZ lowest two states of each symmetry of H2O.

cc46: RHF-EOM-CC2/cc-pVDZ rotational strengths of the lowest four
transitions of H2O2.

cc47: RHF-EOM-CCSD/cc-pVDZ rotational strengths of the lowest four
transitions of H2O2.

cc48: RHF-EOM-CCSD expectation value dipole moments for multiple states.

cc49: UHF-CC3-LR 3-2A1 excitation energy of CH radical.  This corresponds to
the ^2Sigma+ state in full C-infinity-v symmetry and should compare to results
published in JCP 122, 054110 (2005).

cc50: ROHF-CC3-LR 3-2A1 excitation energy of CH radical.  This corresponds to
the ^2Sigma+ state in full C-infinity-v symmetry and should compare to results
published in JCP 122, 054110 (2005).

cc51: RHF-CC3-LR 1-B1 excitation energy of H2O.

cc52: RHF-CCSD-LR/cc-pVDZ ROA (dipole polarizability, optical activity (LG),
and dipole-quadrupole tensors) at 589 nm.

cc53: RHF-a-CCSD(T)/cc-pVDZ matches Table II for H2O @ 2.5 * Re value from
Crawford and Stanton, IJQC 98, 601-611 (1998).

cc55: RHF-EOM-CCSD/6-31g first two excited states of H2O.  Tests excited-state to
excited-state transition data (oscillator/rotational strengths, Einstein A, etc).