2

2spin

A

allow_scf_failure

ani

atguess

auto_scale

autoset_multip

B

babel

babelg

basgss

basis

basis (atomic)

C

cfiterr

charge

check_min

check_min_amide

check_min_eigcut

check_min_ergtol

check_min_geotol

check_min_hb_lim

check_min_hb_tar

check_min_p_pert

check_min_p_tol

check_min_pert

check_min_return

check_min_target

check_min_update

constraint_exponent

cov

covfac

cpoise

cut20

D

d3abc

daf

dcoarse

dconv

den_isoval

denspc

dfine

dftgrid

dftgrid_c

dftgrid_d

dftgrid_f

dftgrid_g

dftgrid_m

dftgrid_p

dftname

dgrad

die_on_opt_failure

dmedium

dryaposteri

dufine

E

ecd

ecd_write_len

ecd_write_vel

econtd

econv

efield

epn

epsin

epsout

epsout_opt

esolv0

esp

esp_analysis

espunit

etransfer

eunit

F

fall_through

fdpol_freq1

fdpol_freq2

fdtemp

formal

frag

freqcut

freqfrag

fukui

fukui_delta

fukui_fn

G

garza_solvent_acentric_factor

garza_solvent_density

garza_solvent_dielectric

garza_solvent_expansion_coeff

garza_solvent_mol_weight

garza_solvent_rad_of_gyration

garza_solvent_surface_area

garza_solvent_volume

gcharge

gcoarse

gconv1

gconv2

gconv5

gconv6

gconv7

gdftcphf

gdftder2

gdftfine

gdftgrad

gdftmed

geldens

geoconv_mode

gfine

ggrad

glmp2

glmp2grad

gmedium

grid

guess_thresh

gufine

H

hirshfeld_basis

huge_diis

I

iacc

iaccg

iacscf

icalcexdip

icanorb

icavity

icdft

icfit

ichange

icis

iconv

icpfrag

idelocv

idelta_scf

idenavg

idoabe

idynmem

ielec

ifdpol

ifdtherm

iflinks

ifollow

ifreq

igeopt

ignore_displacement_criteria

igonly

iguess

ihamtyp

iheter

ihuptyp

ilagr

imw

incdip

inewguess

inhess

input_hessian

intopt

intopt_switch

intopt_switchfac

iorb1a

iorb1b

iorb2a

iorb2b

iordboy

ioss

ip1

ip100

ip101

ip102

ip103

ip104

ip105

ip107

ip108

ip11

ip110

ip12

ip121

ip122

ip123

ip13

ip136

ip15

ip151

ip152

ip160

ip163

ip164

ip165

ip168

ip17

ip170

ip172

ip173

ip175

ip177

ip18

ip188

ip19

ip192

ip193

ip194

ip20

ip201

ip23

ip24

ip25

ip26

ip29

ip3

ip4

ip472

ip472 (irc)

ip5

ip6

ip7

ip70

ip8

ip90

ipka_csrch_acc

ipka_erg_window

ipka_frac_gconf

ipka_lower_cut

ipka_max_conf

ipka_prot_deprot

ipka_solv_opt

ipka_tier_cutoff

ipka_upper_cut

ipkaraw

ipkasearch

ipkasites

ipkasymm

ipkat

ipkaverbose

iplotalie

iplotden

iplotesp

iplotnoncov

iplotspn

ipolar

ipopsym

ipvirt

iqcoarse

iqfine

iqgrad

iqlmp2

iqlmp2grad

iqmedium

iqst

iqufine

iraman

irc

irc_cyc_retry

irc_grad_check

irc_init_retries

ircfacinit

ircfacramp

ircgcut

ircmax

ircmode

ircmxcyc

ircstep

irder

irefhup

ireson

irfo

isolv

isolvg

isotope

isotrymax

isqm

istate

istavg

isurf

isymm

itda

itda_autorestart

itddft

iteravg

ithermo

itradj

itrcut

itrvec

itwice

iuhf

iunit

iusediffuse

ivanset

ivcd

iwrt_cosmo

ixes_ks

ixtrboy

J

jksep

K

kesep

L

large_diis

laser_freq

lastwv

lcoarse

ldens

ldips

lfine

lgrad

lmedium

loclmp2c

loclmp2v

locpostc

locpostv

lowdin

lqa_arclength

lqa_step

lrc-omega

lufine

M

mass

massav

maxdiis

maxit

maxitcp

maxitg

maxpbfit

mitertd

mlff

mlff_solv

mlff_solvent_model

mlff_use_pbc

molchg

moss_atnum

moss_nuc_quadrupole

mossbauer

move_to_com

mp2

mulk

mulken

multip

multip (atomic)

mxpr

mxstrip

N

n_frozen_core

n_frozen_virtual

nbcmax

nbo

nboden

nbuck

ncanorb

ncicut_high

ncicut_low

ndisk

needgwd

negrid

newcon

ngeorestart

nhesref

nmder

nmr

no_mul_hess_redo

no_mul_imag_freq

no_mul_nudge_fac

noabortscf

noatcor

noauto

nofail

nofail_lowest_e

nogas

nogdiis

noopta

nooptr

nooptt

nops

nops_opt_switch

nosuper

noupdat

npress

nrestart

nroot

ntemp

nucmodel

numd

O

opt325

optcoord_newhist

optcoord_update

optrot

optverdict

P

pbf_after_pcm

pbf_after_smd

pbf_boundary_iso

pbf_boundary_res

pbf_fem_mxres_cg

pbf_isodens

pbf_molsurf_idx

pbf_molsurf_iso

pbf_nshells

pbf_protosph_res

pbf_radii

pcm_dcs

pcm_lebedev_hatom

pcm_lebedev_heavy

pcm_model

pcm_radii

pcm_smooth_method

pcm_switch_thresh

pcm_vdwscale

pdftname

pertnd

phosphotmp

plotres

plotresnoncov

potential

press

press_mult

press_step

print_input

printaposteri

props_each_step

Q

qrnn

qrnn_solv

qrnn_solvent_model

qstinit

quasi_harmonic_thresh

R

radprb

rcontd

relatom

relham

res_boundary

res_inner

res_molsurf

res_outer

retryscf

rgeneric

rimp2

rimp2_auxbas

rmscp

room_temperature

rsinglet

rtriplet

S

scale_geoconv

scalfr

scan_independent

scan_nocheck

scangeo

scanguess

scanhess

scf_nops

sconv

scs_os

scs_ss

sm8_sola

sm8_solb

sm8_solc

sm8_solg

sm8_solh

sm8_soln

solv_refr

solvation_entropy

solvent

solvent_model

stdiis

stockholder_q

stop_rxn

stop_rxn_epsilon

stop_rxn_kval

stop_rxn_offset

stop_rxn_sigma

T

target

tddft_hso

tddft_nto

tddft_ometric

tddft_props_mae

three_pt_irc

tmpini

tmpstp

tradmn

tradmx

tremx

treok

trescal

trgmx

trust

ts_vet

ts_vet_dist_fac0

ts_vet_dist_fac1

ts_vet_olap_cut

U

ulg_blg

ulg_slg

V

valid_guess

valid_hess

valid_rwr_svd

valid_sections

valid_tol

vdw

vdw2

vshift

W

wf_stability

wf_stability_all_geopt_steps

wf_stability_follow_external

wf_stability_max_iters

wf_stability_print_thresh

wispc

X

xadj

xes_core

xes_ntransitions

xes_spin

xmaxadj

xminadj

xtb

xtb_solv

xtb_solvent_model

Y

yadj

ymaxadj

yminadj

Z

zadj

zmaxadj

zminadj

zmpmem

zvar