•

The possible functionals are as follows:
",AM05"
",APBE"
",BC95"
",FT97"
",LM"
",LYP"
",M05"
",M052X"
",M06"
",M062X"
",M06HF"
",M06L"
",OPB88"
",OPG96"
",OPPBE"
",OPXALPHA"
",P86"
",PBE"
",PBEJRGX"
",PBESOL"
",PKZB"
",PW91"
",Q2D"
",REVTCA"
",REVTPSS"
",RGE2"
",SOGGA11"
",SOGGA11X"
",SPBE"
",TCA"
",TPSS"
",VPBE"
",VSXC"
",WI"
",WI0"
",WL"
",XPBE"
",ZPBEINT"
",ZPBESOL"
"2DB86"
"2DB86MGC"
"2DB88"
"2DPBE"
"2DPRHG07,"
"2DPRHG07PRP10,"
"AIRY,"
"AK13,"
"AM05"
"APBE,"
"B1B95"
"B1LYP"
"B1PW91"
"B1WC"
"B3LYP"
"B3LYP"
"B3LYP5"
"B3LYPG"
"B3P86"
"B3P86"
"B3P865"
"B3P86G"
"B3P86G"
"B3PW91"
"B3PW91"
"B3PW915"
"B3PW91G"
"B5050LYP"
"B86"
"B86B95"
"B86MGC"
"B88"
"B88B95"
"B97"
"B971"
"B972"
"B973"
"B97D"
"B97GGA1"
"B97K"
"BAYESIAN"
"BB1K"
"BHANDH"
"BHANDHLYP"
"BJ06,"
"BLOC"
"BLOC,"
"BLYP"
"BLYP"
"BOP"
"BP86"
"BPBE"
"BPCCAC,"
"BR89,"
"C09X,"
"CAMB3LYP"
"CAMYB3LYP"
"CAMYBLYP"
"DK87R1"
"DK87R2"
"DLDF"
"EDF1"
"FT97A"
"FT97B"
"G96"
"GAM"
"GVT4,"
"HCTH120"
"HCTH147"
"HCTH407"
"HCTH407P"
"HCTH93"
"HCTHA"
"HCTHP14"
"HCTHP76"
"HERMAN,"
"HFLYP"
"HFPW92"
"HJSB88"
"HJSB88,"
"HJSB97X"
"HJSB97X,"
"HJSPBE"
"HJSPBE,"
"HJSPBESOL"
"HJSPBESOL,"
"HSE03"
"HSE06"
"HTBS,"
"ITYH,"
"KT1"
"KT1,"
"KT2"
"LAG,"
"LB,"
"LBM,"
"LDA"
"LDA, 1D"
"LDA, 1DCSC"
"LDA, 1DLOOS"
"LDA, 2D"
"LDA, 2DAMGB"
"LDA, 2DPRM"
"LDA, GL"
"LDA, GOMBAS"
"LDA, HL"
"LDA, ML1"
"LDA, ML2"
"LDA, OBPW"
"LDA, OBPZ"
"LDA, PW"
"LDA, PWMOD"
"LDA, PWRPA"
"LDA, PZ"
"LDA, PZMOD"
"LDA, RC04"
"LDA, RPA"
"LDA, TETER93"
"LDA, VBH"
"LDA, VWN"
"LDA, VWN1"
"LDA, VWN2"
"LDA, VWN3"
"LDA, VWN4"
"LDA, VWNRPA"
"LDA, WIGNER"
"LDA, XALPHA"
"LG93"
"LTA,"
"LVRPW86"
"M05"
"M05,"
"M052X"
"M052X,"
"M06"
"M06,"
"M06L"
"M062X"
"M062X,"
"M06HF"
"M06HF,"
"M06L,"
"M08HX"
"M08HX,"
"M08SO"
"M08SO,"
"M11"
"M11,"
"M11L"
"M11L"
"M11L,"
"MB3LYPRC04"
"MB88,"
"MBEEF"
"MK00B,"
"MN12L"
"MN12SX"
"MN12L"
"MN12L,"
"MN12SX"
"MN12SX,"
"MN15"
"MN15L"
"MODTPSS,"
"MOHLYP"
"MOHLYP2"
"MPBE"
"MPW1B95"
"MPW1K"
"MPW1LYP"
"MPW1PBE"
"MPW1PW"
"MPW3LYP"
"MPW3LYP"
"MPW3LYP5"
"MPW3LYPG"
"MPW3PW"
"MPW3PW"
"MPW3PW5"
"MPW3PWG"
"MPW91"
"MPWB1K"
"MPWLYP1M"
"MPWLYP1W"
"MS0"
"MS0,"
"MS1"
"MS1,"
"MS2"
"MS2,"
"MS2H"
"MS2H,"
"MVS"
"MVSH"
"N12"
"N12,"
"N12SX"
"N12SX"
"N12SX,"
"O3LYP"
"O3LYP5"
"O3LYPG"
"OBLYPD"
"OL2,"
"OLYP"
"OPBED"
"OPTB88VDW,"
"OPTC,"
"OPTPBEVDW,"
"OPTX"
"OPTXCORR"
"OPWLYPD"
"OTPSSD"
"PBE"
"PBE,"
"PBE0",
"PBE013"
"PBE1PBE"
"PBE1W"
"PBE50"
"PBEA"
"PBEH"
"PBEINT"
"PBEJSJR"
"PBEK1VDW,"
"PBELYP1W"
"PBEMOL"
"PBEOP"
"PBER"
"PBESOL"
"PBESOL,"
"PBETCA"
"PKZB"
"PKZB,"
"PW6B95"
"PW86"
"PW86B95"
"PW91"
"PWB6K"
"Q2D,"
"REVB3LYP"
"REVB3LYP5"
"REVPBE"
"REVPBE0"
"REVTPSS"
"REVTPSS,"
"REVTPSSH"
"RGE2,"
"RPBE"
"RPP09,"
"RPW86,"
"SB981A"
"SB981B"
"SB981C"
"SB982A"
"SB982B"
"SB982C"
"SCAN"
"SCAN0"
"SFAT,"
"SLATER" ,
"SOGGA"
"SOGGA,"
"SOGGA11"
"SOGGA11,"
"SOGGA11X"
"SOGGA11X,"
"SPW92"
"SSB,"
"SSBD,"
"SSBSW,"
"SVWN"
"TAUHCTH,"
"TB09,"
"TH1"
"TH2"
"TH3"
"TH4"
"THFC"
"THFCFO"
"THFCO"
"THFL"
"TPSS"
"TPSS,"
"TPSS0"
"TPSSH"
"TPSSLYP1W"
"TUNEDCAMB3LYP"
"VMT84PBE"
"VMTGE"
"VMTPBE"
"VWN3",
"VWN5",
"VWNRPA",
"WC"
"WPBEH,"
"X1B95"
"X3LYP"
"X3LYP"
"X3LYP5"
"X3LYPG"
"XB1K"
"XC_GGA_C_AM05"
"XC_GGA_C_APBE"
"XC_GGA_C_BGCP"
"XC_GGA_C_FT97"
"XC_GGA_C_GAM"
"XC_GGA_C_HCTH_A"
"XC_GGA_C_LM"
"XC_GGA_C_LYP"
"XC_GGA_C_N12"
"XC_GGA_C_N12_SX"
"XC_GGA_C_OPTC"
"XC_GGA_C_OP_B88"
"XC_GGA_C_OP_G96"
"XC_GGA_C_OP_PBE"
"XC_GGA_C_OP_PW91"
"XC_GGA_C_OP_XALPHA"
"XC_GGA_C_P86"
"XC_GGA_C_PBE"
"XC_GGA_C_PBEFE"
"XC_GGA_C_PBEINT"
"XC_GGA_C_PBELOC"
"XC_GGA_C_PBE_JRGX"
"XC_GGA_C_PBE_SOL"
"XC_GGA_C_PW91"
"XC_GGA_C_Q2D"
"XC_GGA_C_REGTPSS"
"XC_GGA_C_REVTCA"
"XC_GGA_C_RGE2"
"XC_GGA_C_SOGGA11"
"XC_GGA_C_SOGGA11_X"
"XC_GGA_C_SPBE"
"XC_GGA_C_TCA"
"XC_GGA_C_WI"
"XC_GGA_C_WI0"
"XC_GGA_C_WL"
"XC_GGA_C_XPBE"
"XC_GGA_C_ZPBEINT"
"XC_GGA_C_ZPBESOL"
"XC_GGA_K_ABSP1"
"XC_GGA_K_ABSP2"
"XC_GGA_K_APBE"
"XC_GGA_K_APBEINT"
"XC_GGA_K_BALTIN"
"XC_GGA_K_DK"
"XC_GGA_K_ERNZERHOF"
"XC_GGA_K_FR_B88"
"XC_GGA_K_FR_PW86"
"XC_GGA_K_GE2"
"XC_GGA_K_GOLDEN"
"XC_GGA_K_GP85"
"XC_GGA_K_GR"
"XC_GGA_K_LC94"
"XC_GGA_K_LIEB"
"XC_GGA_K_LLP"
"XC_GGA_K_LUDENA"
"XC_GGA_K_MEYER"
"XC_GGA_K_OL1"
"XC_GGA_K_OL2"
"XC_GGA_K_PEARSON"
"XC_GGA_K_PERDEW"
"XC_GGA_K_REVAPBE"
"XC_GGA_K_REVAPBEINT"
"XC_GGA_K_TFVW"
"XC_GGA_K_THAKKAR"
"XC_GGA_K_TW1"
"XC_GGA_K_TW2"
"XC_GGA_K_TW3"
"XC_GGA_K_TW4"
"XC_GGA_K_VJKS"
"XC_GGA_K_VSK"
"XC_GGA_K_VW"
"XC_GGA_K_YT65"
"XC_GGA_XC_B97_D"
"XC_GGA_XC_B97_GGA1"
"XC_GGA_XC_EDF1"
"XC_GGA_XC_HCTH_120"
"XC_GGA_XC_HCTH_147"
"XC_GGA_XC_HCTH_407"
"XC_GGA_XC_HCTH_407P"
"XC_GGA_XC_HCTH_93"
"XC_GGA_XC_HCTH_P14"
"XC_GGA_XC_HCTH_P76"
"XC_GGA_XC_KT2"
"XC_GGA_XC_MOHLYP"
"XC_GGA_XC_MOHLYP2"
"XC_GGA_XC_MPWLYP1W"
"XC_GGA_XC_OBLYP_D"
"XC_GGA_XC_OPBE_D"
"XC_GGA_XC_OPWLYP_D"
"XC_GGA_XC_PBE1W"
"XC_GGA_XC_PBELYP1W"
"XC_GGA_XC_TH1"
"XC_GGA_XC_TH2"
"XC_GGA_XC_TH3"
"XC_GGA_XC_TH4"
"XC_GGA_XC_TH_FC"
"XC_GGA_XC_TH_FCFO"
"XC_GGA_XC_TH_FCO"
"XC_GGA_XC_TH_FL"
"XC_GGA_XC_VV10"
"XC_GGA_XC_XLYP"
"XC_GGA_X_2D_B86"
"XC_GGA_X_2D_B86_MGC"
"XC_GGA_X_2D_B88"
"XC_GGA_X_2D_PBE"
"XC_GGA_X_AIRY"
"XC_GGA_X_AK13"
"XC_GGA_X_AM05"
"XC_GGA_X_APBE"
"XC_GGA_X_B86"
"XC_GGA_X_B86_MGC"
"XC_GGA_X_B86_R"
"XC_GGA_X_B88"
"XC_GGA_X_BAYESIAN"
"XC_GGA_X_BGCP"
"XC_GGA_X_BPCCAC"
"XC_GGA_X_C09X"
"XC_GGA_X_CAP"
"XC_GGA_X_DK87_R1"
"XC_GGA_X_DK87_R2"
"XC_GGA_X_EV93"
"XC_GGA_X_FT97_A"
"XC_GGA_X_FT97_B"
"XC_GGA_X_G96"
"XC_GGA_X_GAM"
"XC_GGA_X_HCTH_A"
"XC_GGA_X_HERMAN"
"XC_GGA_X_HJS_B88"
"XC_GGA_X_HJS_B88_V2"
"XC_GGA_X_HJS_B97X"
"XC_GGA_X_HJS_PBE"
"XC_GGA_X_HJS_PBE_SOL"
"XC_GGA_X_HTBS"
"XC_GGA_X_ITYH"
"XC_GGA_X_KT1"
"XC_GGA_X_LAG"
"XC_GGA_X_LAMBDA_CH_N"
"XC_GGA_X_LAMBDA_LO_N"
"XC_GGA_X_LAMBDA_OC2_N"
"XC_GGA_X_LB"
"XC_GGA_X_LBM"
"XC_GGA_X_LG93"
"XC_GGA_X_LV_RPW86"
"XC_GGA_X_MB88"
"XC_GGA_X_MPBE"
"XC_GGA_X_MPW91"
"XC_GGA_X_N12"
"XC_GGA_X_OL2"
"XC_GGA_X_OPTB88_VDW"
"XC_GGA_X_OPTPBE_VDW"
"XC_GGA_X_OPTX"
"XC_GGA_X_PBE"
"XC_GGA_X_PBEA"
"XC_GGA_X_PBEFE"
"XC_GGA_X_PBEINT"
"XC_GGA_X_PBEK1_VDW"
"XC_GGA_X_PBE_JSJR"
"XC_GGA_X_PBE_MOL"
"XC_GGA_X_PBE_R"
"XC_GGA_X_PBE_SOL"
"XC_GGA_X_PBE_TCA"
"XC_GGA_X_PW86"
"XC_GGA_X_PW91"
"XC_GGA_X_Q2D"
"XC_GGA_X_RGE2"
"XC_GGA_X_RPBE"
"XC_GGA_X_RPW86"
"XC_GGA_X_SFAT"
"XC_GGA_X_SOGGA"
"XC_GGA_X_SOGGA11"
"XC_GGA_X_SSB"
"XC_GGA_X_SSB_D"
"XC_GGA_X_SSB_SW"
"XC_GGA_X_VMT84_GE"
"XC_GGA_X_VMT84_PBE"
"XC_GGA_X_VMT_GE"
"XC_GGA_X_VMT_PBE"
"XC_GGA_X_WC"
"XC_GGA_X_WPBEH"
"XC_GGA_X_XPBE"
"XC_HYB_GGA_XC_B1LYP"
"XC_HYB_GGA_XC_B1PW91"
"XC_HYB_GGA_XC_B1WC"
"XC_HYB_GGA_XC_B3LYP"
"XC_HYB_GGA_XC_B3LYP5"
"XC_HYB_GGA_XC_B3LYPS"
"XC_HYB_GGA_XC_B3P86"
"XC_HYB_GGA_XC_B3PW91"
"XC_HYB_GGA_XC_B97"
"XC_HYB_GGA_XC_B97_1"
"XC_HYB_GGA_XC_B97_1P"
"XC_HYB_GGA_XC_B97_2"
"XC_HYB_GGA_XC_B97_3"
"XC_HYB_GGA_XC_B97_K"
"XC_HYB_GGA_XC_BHANDH"
"XC_HYB_GGA_XC_BHANDHLYP"
"XC_HYB_GGA_XC_CAMY_B3LYP"
"XC_HYB_GGA_XC_CAMY_BLYP"
"XC_HYB_GGA_XC_CAM_B3LYP"
"XC_HYB_GGA_XC_CAP0"
"XC_HYB_GGA_XC_EDF2"
"XC_HYB_GGA_XC_HJS_B88"
"XC_HYB_GGA_XC_HJS_B97X"
"XC_HYB_GGA_XC_HJS_PBE"
"XC_HYB_GGA_XC_HJS_PBE_SOL"
"XC_HYB_GGA_XC_HPBEINT"
"XC_HYB_GGA_XC_HSE03"
"XC_HYB_GGA_XC_HSE06"
"XC_HYB_GGA_XC_LCY_BLYP"
"XC_HYB_GGA_XC_LCY_PBE"
"XC_HYB_GGA_XC_LC_VV10"
"XC_HYB_GGA_XC_LRC_WPBE"
"XC_HYB_GGA_XC_LRC_WPBEH"
"XC_HYB_GGA_XC_MB3LYP_RC04"
"XC_HYB_GGA_XC_MPW1K"
"XC_HYB_GGA_XC_MPW1PW"
"XC_HYB_GGA_XC_MPW3LYP"
"XC_HYB_GGA_XC_MPW3PW"
"XC_HYB_GGA_XC_MPWLYP1M"
"XC_HYB_GGA_XC_O3LYP"
"XC_HYB_GGA_XC_PBE0_13"
"XC_HYB_GGA_XC_PBEH"
"XC_HYB_GGA_XC_REVB3LYP"
"XC_HYB_GGA_XC_SB98_1A"
"XC_HYB_GGA_XC_SB98_1B"
"XC_HYB_GGA_XC_SB98_1C"
"XC_HYB_GGA_XC_SB98_2A"
"XC_HYB_GGA_XC_SB98_2B"
"XC_HYB_GGA_XC_SB98_2C"
"XC_HYB_GGA_XC_TUNED_CAM_B3LYP" ,
"XC_HYB_GGA_XC_WB97"
"XC_HYB_GGA_XC_WB97X"
"XC_HYB_GGA_XC_WB97X_D"
"XC_HYB_GGA_XC_WB97X_V"
"XC_HYB_GGA_XC_X3LYP"
"XC_HYB_GGA_X_N12_SX"
"XC_HYB_GGA_X_SOGGA11_X"
"XC_HYB_MGGA_XC_B86B95"
"XC_HYB_MGGA_XC_B88B95"
"XC_HYB_MGGA_XC_BB1K"
"XC_HYB_MGGA_XC_M05"
"XC_HYB_MGGA_XC_M05_2X"
"XC_HYB_MGGA_XC_M06"
"XC_HYB_MGGA_XC_M06_2X"
"XC_HYB_MGGA_XC_M06_HF"
"XC_HYB_MGGA_XC_M08_HX"
"XC_HYB_MGGA_XC_M08_SO"
"XC_HYB_MGGA_XC_M11"
"XC_HYB_MGGA_XC_MPW1B95"
"XC_HYB_MGGA_XC_MPWB1K"
"XC_HYB_MGGA_XC_PW6B95"
"XC_HYB_MGGA_XC_PW86B95"
"XC_HYB_MGGA_XC_PWB6K"
"XC_HYB_MGGA_XC_REVTPSSH"
"XC_HYB_MGGA_XC_TPSSH"
"XC_HYB_MGGA_XC_WB97M_V"
"XC_HYB_MGGA_XC_X1B95"
"XC_HYB_MGGA_XC_XB1K"
"XC_HYB_MGGA_X_DLDF"
"XC_HYB_MGGA_X_MN12_SX"
"XC_HYB_MGGA_X_MN15"
"XC_HYB_MGGA_X_MS2H"
"XC_HYB_MGGA_X_MVSH"
"XC_HYB_MGGA_X_SCAN0"
"XC_LDA_C_1D_CSC"
"XC_LDA_C_1D_LOOS"
"XC_LDA_C_2D_AMGB"
"XC_LDA_C_2D_PRM"
"XC_LDA_C_GL"
"XC_LDA_C_GOMBAS"
"XC_LDA_C_HL"
"XC_LDA_C_ML1"
"XC_LDA_C_ML2"
"XC_LDA_C_OB_PW"
"XC_LDA_C_OB_PZ"
"XC_LDA_C_PW"
"XC_LDA_C_PW_MOD"
"XC_LDA_C_PW_RPA"
"XC_LDA_C_PZ"
"XC_LDA_C_PZ_MOD"
"XC_LDA_C_RC04"
"XC_LDA_C_RPA"
"XC_LDA_C_VBH"
"XC_LDA_C_VWN"
"XC_LDA_C_VWN_1"
"XC_LDA_C_VWN_2"
"XC_LDA_C_VWN_3"
"XC_LDA_C_VWN_4"
"XC_LDA_C_VWN_RPA"
"XC_LDA_C_WIGNER"
"XC_LDA_C_XALPHA"
"XC_LDA_K_LP"
"XC_LDA_K_TF"
"XC_LDA_X"
"XC_LDA_XC_KSDT"
"XC_LDA_XC_TETER93"
"XC_LDA_XC_ZLP"
"XC_LDA_X_1D"
"XC_LDA_X_2D"
"XC_MGGA_C_BC95"
"XC_MGGA_C_CC06"
"XC_MGGA_C_CS"
"XC_MGGA_C_DLDF"
"XC_MGGA_C_M05"
"XC_MGGA_C_M05_2X"
"XC_MGGA_C_M06"
"XC_MGGA_C_M06_2X"
"XC_MGGA_C_M06_HF"
"XC_MGGA_C_M06_L"
"XC_MGGA_C_M08_HX"
"XC_MGGA_C_M08_SO"
"XC_MGGA_C_M11"
"XC_MGGA_C_M11_L"
"XC_MGGA_C_MN12_L"
"XC_MGGA_C_MN12_SX"
"XC_MGGA_C_MN15"
"XC_MGGA_C_MN15_L"
"XC_MGGA_C_PKZB"
"XC_MGGA_C_REVTPSS"
"XC_MGGA_C_SCAN"
"XC_MGGA_C_TPSS"
"XC_MGGA_C_TPSSLOC"
"XC_MGGA_C_VSXC"
"XC_MGGA_XC_B97M_V"
"XC_MGGA_XC_OTPSS_D"
"XC_MGGA_XC_TPSSLYP1W"
"XC_MGGA_XC_ZLP"
"XC_MGGA_X_2D_PRHG07"
"XC_MGGA_X_2D_PRHG07_PRP10"
"XC_MGGA_X_BJ06"
"XC_MGGA_X_BLOC"
"XC_MGGA_X_BR89"
"XC_MGGA_X_GVT4"
"XC_MGGA_X_LTA"
"XC_MGGA_X_M05"
"XC_MGGA_X_M05_2X"
"XC_MGGA_X_M06"
"XC_MGGA_X_M06_2X"
"XC_MGGA_X_M06_HF"
"XC_MGGA_X_M06_L"
"XC_MGGA_X_M08_HX"
"XC_MGGA_X_M08_SO"
"XC_MGGA_X_M11"
"XC_MGGA_X_M11_L"
"XC_MGGA_X_MBEEF"
"XC_MGGA_X_MBEEFVDW"
"XC_MGGA_X_MK00"
"XC_MGGA_X_MK00B"
"XC_MGGA_X_MN12_L"
"XC_MGGA_X_MN15_L"
"XC_MGGA_X_MODTPSS"
"XC_MGGA_X_MS0"
"XC_MGGA_X_MS1"
"XC_MGGA_X_MS2"
"XC_MGGA_X_MVS"
"XC_MGGA_X_PKZB"
"XC_MGGA_X_REVTPSS"
"XC_MGGA_X_RPP09"
"XC_MGGA_X_SCAN"
"XC_MGGA_X_TAU_HCTH"
"XC_MGGA_X_TB09"
"XC_MGGA_X_TPSS"
"XLYP"
"XPBE"
