File: C_bigbasis.com

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cclib-data 1.6.2-2
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***, C big basis
gprint,basis,orbital
basis=aug-cc-pCVQZ
geometry={nosym,angstrom;
 c  6.0  -1.4152533224   0.2302217854   0.0000000000
}

hf
orbprint,9999