&FORCE_EVAL
    METHOD Quickstep
    &DFT
        BASIS_SET_FILE_NAME EMSL_BASIS_SETS
        POTENTIAL_FILE_NAME POTENTIAL
        AUTO_BASIS RI_HFX SMALL ! RI basis for HFX
        &MGRID
            CUTOFF 250
            REL_CUTOFF 50
        &END MGRID
        &QS
            METHOD GAPW
        &END QS
        &POISSON
            PERIODIC NONE
            PSOLVER MT
        &END
        &SCF
            EPS_SCF 1.0E-6
            SCF_GUESS ATOMIC
            MAX_SCF 2
            &OT ON
                PRECONDITIONER FULL_ALL
            &END
        &END SCF
        #These are the coefficients used for B3LYP using VWN5, this is recommended but doesn't match the default Gaussian definition
        &XC
            &XC_FUNCTIONAL
                &LYP
                    SCALE_C 0.81
                &END
                &BECKE88
                    SCALE_X 0.72
                &END
                &VWN
                    FUNCTIONAL_TYPE VWN5
                    SCALE_C 0.19
                &END
                &XALPHA
                    SCALE_X 0.08
                &END
            &END XC_FUNCTIONAL
            &HF
                &RI
                &END
                &SCREENING
                    EPS_SCHWARZ 1.0E-10
                &END
                &MEMORY
                    MAX_MEMORY  5
                &END
                FRACTION 0.20
            &END
        &END XC
    &END DFT
    &SUBSYS
        &CELL
            ABC 6.0 6.0 6.0
            PERIODIC NONE
        &END CELL
        &COORD
            O   0.000000    0.000000   -0.065587
            H   0.000000   -0.757136    0.520545
            H   0.000000    0.757136    0.520545
        &END COORD
        &KIND H
            BASIS_SET 6-31Gxx
            POTENTIAL ALL
        &END KIND
        &KIND O
            BASIS_SET 6-31Gxx
            POTENTIAL ALL
        &END KIND
    &END SUBSYS
&END FORCE_EVAL
&GLOBAL
    PROJECT H2O-hybrid-b3lyp
    RUN_TYPE ENERGY
    PRINT_LEVEL MEDIUM
&END GLOBAL
