H DZVP-GTH 3 1 0 0 3 1 8.3744350009 -0.0283380461 1.8058681460 -0.1333810052 0.4852528328 -0.3995676063 1 0 0 1 1 0.1658236932 1.0000000000 2 1 1 1 1 0.7270000000 1.0000000000 # C DZVP-GTH 3 2 0 1 3 1 1 4.3362376436 0.1490797872 -0.0878123619 1.2881838513 -0.0292640031 -0.2775560300 0.4037767149 -0.6882040510 -0.4712295093 2 0 1 1 1 1 0.1187877657 1.0000000000 1.0000000000 3 2 2 1 1 0.5500000000 1.0000000000