H GTH-PBE-q1 1 0.20000000 2 -4.17890044 0.72446331 0 # C GTH-PBE-q4 2 2 0.33847124 2 -8.80367398 1.33921085 2 0.30257575 1 9.62248665 0.29150694 0 # N GTH-PBE-q5 2 3 0.28379052 2 -12.41522559 1.86809592 2 0.25540500 1 13.63026257 0.24549453 0 # O GTH-PBE-q6 2 4 0.24455430 2 -16.66721480 2.48731132 2 0.22095592 1 18.33745811 0.21133247 0