File: 13_uracil_dimer_stack.mop

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13 Uracil dimer stack
 H=-9.88+"13_URACIL_DIMER_STACK_WELL_SEPARATED" HR=CCSDT HWT=10
  N     2.01135900 +0  -1.21320700 +0  -0.09806700 +0                        -0.4505
  C     2.02570800 +0  -0.69718000 +0  -1.36440300 +0                         0.1726
  H     2.29752100 +0  -1.39105900 +0  -2.14564600 +0                         0.1514
  C     1.71452300 +0   0.59196500 +0  -1.61248900 +0                        -0.3903
  H     1.72728700 +0   0.99084700 +0  -2.61200500 +0                         0.1783
  C     1.30896000 +0   1.45753400 +0  -0.52058900 +0                         0.5962
  O     0.92059300 +0   2.61108600 +0  -0.62604600 +0                        -0.4946
  N     1.37688800 +0   0.83974500 +0   0.73463600 +0                        -0.5671
  H     1.05180400 +0   1.38622300 +0   1.52337100 +0                         0.3148
  C     1.64599100 +0  -0.48521100 +0   1.01872700 +0                         0.6565
  O     1.56110900 +0  -0.97180600 +0   2.12980600 +0                        -0.4775
  H     2.12946300 +0  -2.20150500 +0   0.05681300 +0                         0.3103
  N    -2.01135900 +0   1.21320700 +0  -0.09806700 +0                        -0.4505
  C    -2.02570800 +0   0.69718000 +0  -1.36440300 +0                         0.1726
  H    -2.29752100 +0   1.39105900 +0  -2.14564600 +0                         0.1514
  C    -1.71452300 +0  -0.59196500 +0  -1.61248900 +0                        -0.3903
  H    -1.72728700 +0  -0.99084700 +0  -2.61200500 +0                         0.1783
  C    -1.30896000 +0  -1.45753400 +0  -0.52058900 +0                         0.5962
  O    -0.92059300 +0  -2.61108600 +0  -0.62604600 +0                        -0.4946
  N    -1.37688800 +0  -0.83974500 +0   0.73463600 +0                        -0.5671
  H    -1.05180400 +0  -1.38622300 +0   1.52337100 +0                         0.3148
  C    -1.64599100 +0   0.48521100 +0   1.01872700 +0                         0.6565
  O    -1.56110900 +0   0.97180600 +0   2.12980600 +0                        -0.4775
  H    -2.12946300 +0   2.20150500 +0   0.05681300 +0                         0.3103