#! /bin/sh

# dependency: {} GF-Hydrogen.t21
# ==============================
# The Molecule
# ==============================

"$ADFBIN/adf" <<eor
ATOMS
H         0.000000    0.000000   -0.375741     R=1.30
H         0.000000    0.000000    0.375741     R=1.30
END

SOLVATION
    Surf Esurf
    Solvent name=Pyridine cav0=0.0 cav1=0.0067639
    Charged method=CONJ
    C-Mat POT
    SCF VAR ALL 
    CSMRSP
END

BASIS
type TZP
core none
createoutput None
END

XC
GGA Becke Perdew
END

RELATIVISTIC Scalar ZORA

RESTART GF-Hydrogen.t21

SCANFREQ -1000 0

AnalyticalFreq
END

NOPRINT LOGFILE

eor








