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 energy: -170.637838836228 gnorm: 1.986872597029 xtb: 6.5.1 (b24c23e)
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128
 energy: -170.982877594961 gnorm: 0.440067123849 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.015468908724 gnorm: 0.372183128231 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.040936538896 gnorm: 0.318045840954 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.052271630364 gnorm: 0.301275771317 xtb: 6.5.1 (b24c23e)
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H           -5.20711860411295       -1.71958634805480        5.77691171302988
H           -3.70717362925139       -1.60649620732674        5.10300390174629
128
 energy: -171.060557280128 gnorm: 0.296632182004 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
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 energy: -171.085605873745 gnorm: 0.276981269237 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.100559958360 gnorm: 0.266303429784 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.114476689464 gnorm: 0.247624811781 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
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128
 energy: -171.150044273119 gnorm: 0.189226304667 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.156955059154 gnorm: 0.188517710755 xtb: 6.5.1 (b24c23e)
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H           -4.26608623002815       -2.58666894191530        4.47463803789104
128
 energy: -171.160309341600 gnorm: 0.184079908784 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
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C           -1.91232800000000       -5.99091200000000        3.03683700000000
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128
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128
 energy: -171.162642383184 gnorm: 0.185391874949 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.162816978260 gnorm: 0.184584476540 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
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H           -4.91561314560525       -1.64541170614545        5.63181437043505
H           -4.25544780175803       -2.59078693061105        4.37657941635665
128
 energy: -171.163101128470 gnorm: 0.182709026080 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
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C           -1.91232800000000       -5.99091200000000        3.03683700000000
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128
 energy: -171.198553012637 gnorm: 0.169885532294 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.208509501271 gnorm: 0.165321893390 xtb: 6.5.1 (b24c23e)
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H           -4.99337750126592       -1.65041933229940        5.87427876034632
H           -4.99085205022696       -1.98994749622221        4.20411831167049
128
 energy: -171.215626331814 gnorm: 0.164566483819 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
C           -1.60739700000000       -4.66216700000000        2.30014500000000
C           -1.91232800000000       -5.99091200000000        3.03683700000000
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128
 energy: -171.219233510694 gnorm: 0.160343513805 xtb: 6.5.1 (b24c23e)
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 energy: -171.219380443444 gnorm: 0.160273464618 xtb: 6.5.1 (b24c23e)
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128
 energy: -171.219555502923 gnorm: 0.160750622589 xtb: 6.5.1 (b24c23e)
N           -2.56641300000000       -3.62540400000000        2.60361800000000
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