#! /bin/sh

# ==============================
# The Molecule
# ==============================

"$ADFBIN/adf" <<eor
ATOMS
U       0.00759296       0.36503472       0.17593755   
O       0.69200332       1.34504605       2.30636805   
H      -2.47946234      -0.88446514      -0.68918219   
O      -1.27775566       0.41177661       2.25277841   
N       0.24893839       0.00148817      -2.69950407   
N      -0.39330526       1.05130122       2.96008262   
O      -0.56606319       1.34896593       4.12616851   
O       0.73629364      -1.20044870       0.65463317   
O      -0.72103078       1.93024928      -0.30090390   
O       0.38742299      -0.23025168      -3.88496792   
H       2.61125035       1.47729492      -0.41438973   
O      -0.79511750      -0.37362142      -2.02070840   
O       1.13220990       0.64547169      -1.99477707   
O       1.89066329       1.54071402       0.16095940   
H       2.42394507       1.81182828       0.92637543   
O      -1.97202340      -0.63694364       0.10138276   
H      -2.86367639      -0.62464612       0.62028038     
END


BASIS
type TZP
core None
createoutput None
END

XC
GGA Becke Perdew
END

RELATIVISTIC Scalar ZORA

EXCITATIONS
	Davidson
	NTO
	ONLYSING
END

EXCITEDGO
   	State A 5
	Singlet
END

GEOMETRY
END

NOPRINT LOGFILE

eor








