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QUESTDB_website/static/data/structures/QUEST3/cyanoacetylene.xyz

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^1\Sigma^+,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.90038216
C 0.00000000 0.00000000 -0.69160236
C 0.00000000 0.00000000 0.68200486
N 0.00000000 0.00000000 1.84519972
H 0.00000000 0.00000000 -2.96138090
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^1A^\prime,aug-cc-pVTZ
C 1.05523849 0.00000000 1.49112124
C -0.03865253 0.00000000 0.70447126
C -0.33671613 0.00000000 -0.60620783
N -0.73955561 0.00000000 -1.72593604
H 1.00940477 0.00000000 2.57857037