3 energy: -5.070544443509 gnorm: 0.000050851083 xtb: 6.3.2 (2f3864265352d3504da10c988632d89908801527) H -0.77226423661793 0.14366978520871 -0.00000000000000 H 0.97226467499076 0.14366934683588 0.00000000000000 O -0.00000043837283 0.71266086795541 0.00000000000000