Dear All
I want to use TZ (Dunning) whose name is found in the following site.
http://nwchemgit.github.io/index.php/Release66:AvailableBasisSets
Then, I specified this basis function as:
BASIS
* library TZ (Dunning)
END
This job brought the following error massage.
bas_tag_lib: tag does not refer to an atom 0
------------------------------------------------------------------------
There is an error in the input file
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How should I specify TZ (Dunning) ?
p.s
input file
==================
echo of input deck ==============================
ECHO
START
TITLE "Test"
BASIS
* library TZ (Dunning)
END
CHARGE 0
DFT
XC b3lyp
END
PROPERTY
MULLIKEN
DIPOLE
END
GEOMETRY
ZMATRIX
C
H 1 R2
C 1 R3 2 A3
H 1 R4 2 A4 3 D4
H 3 R5 1 A5 2 D5
H 3 R6 1 A6 2 D6
VARIABLES
R2 1.098310000
R3 1.325912000
R4 1.098236000
R5 1.098289000
R6 1.098282000
A3 122.7152600
A4 114.5620600
A5 122.7130100
A6 122.7184000
D4 179.9953000
D5 0.0000000
D6 179.9985700
zend
END
TASK DFT optimize
TASK DFT property
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