qm_2b.in

run_type gtest
ref_energy -0.2314262632
gtest_tol 5.0e-6
elec_damp screen
disp_damp overlap
pol_driver direct
fraglib_path ../fraglib

charge   7.0   4.0   5.0   5.0
charge  10.0   8.0   5.0   6.0
charge   1.0   5.0   8.0   5.0
charge   2.0   8.0   9.0   8.0
charge   2.0   5.0   8.0   8.0

fragment ch3oh_l
   0.0  -1.0   0.0   0.0   1.1   2.0

fragment dmso_l
  -5.0  12.0   0.0   3.0   0.2   5.0

fragment dmso_l
   0.0  -3.0   5.0   6.0   2.3   8.0

fragment acetone_l
  -5.0  -4.0  -5.0   9.0   0.4   1.0

fragment dcm_l
  -9.0  -5.0   1.0   2.0   1.5   4.0

fragment acetone_l
   7.0  -2.0  11.0   5.0   0.6   7.0

fragment acetone_l
  -9.0  -7.0  -9.0   8.0   2.7   0.0