Now the initial error is gone but showing the following error:
Summary of "ao basis" -> "" (cartesian)
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Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
H 6-31G* 2 2 2s
N 6-31G* 6 15 3s2p1d
C 6-31G* 6 15 3s2p1d
ERROR: illegal digit in an integer: 1 -1.743200000 -4.626100000 0.540200000
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drdy_icint: fatal error 911
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current input line :
252: task dirdyvtst
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This error has not yet been assigned to a category
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The calculation was stopped at the fist line of the geometry specification of REACT1:
GEOM
1 -1.743200000 -4.626100000 0.540200000
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