masm_conf_xtb_L6.xtbopt.sdf

L56
  xtb     12202207443D
xtb: 6.4.1 (afa7bdf)
 30 32  0     0  0            999 V2000
    1.2380   -2.3646    1.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687   -1.6290    1.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5171   -1.7740    0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8872   -0.8597   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604   -0.1779   -0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5967    0.8338   -1.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219   -0.6430    0.1848 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -0.3430    0.0732 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1188   -1.5398    0.3600 Cu  0  0  0  0  0  2  0  0  0  0  0  0
   -2.3232   -0.0283   -0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366    0.0966   -0.1943 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.3241   -1.0552   -0.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393    1.3274   -0.4423 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4315    2.4489   -0.5216 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.0639    2.3129   -0.3537 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.5317    1.0530   -0.1205 C   0  0  0  0  0  3  0  0  0  0  0  0
   -0.0328    0.9240    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6309    1.9495    0.1883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -2.5968    1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9736   -1.7799    2.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -3.3028    2.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633   -2.4584    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717   -0.7177   -0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218    1.8009   -1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5289    0.9313   -2.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052    0.5352   -2.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2705   -0.9072   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3099    1.3954   -0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8689    3.4172   -0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873    3.1510   -0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <total energy / Eh>
    -52.631479855131

> <gradient norm / Eh/a0>
      0.000705275885

$$$$