File: nh3_ts_ir.inp

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cclib-data 1.6.2-2
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 $CONTRL SCFTYP=RHF RUNTYP=HESSIAN AIMPAC=.t. $END
 $SYSTEM timlim=1 $END
 $BASIS  GBASIS=AM1 $END
 $DATA
ammonia...at the planar transition state
C1
N    7.0   0.0000000000   0.0000000000   0.0000000000
H    1.0  -0.4882960784   0.8457536168   0.0000000000
H    1.0  -0.4882960784  -0.8457536168   0.0000000000
H    1.0   0.9765921567   0.0000000000   0.0000000000
 $END