shell0_X0_Y0_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.82265354358343 1 1.0 0.0 0.0007842664929924581 -0.0007500974930000348 0.0007824501650048887 -0.0006650011700000125
shell0_X0_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.82265354358343 1 1.0 0.0 0.0007842664929924581 -0.0007500974930000348 0.0007824501650048887 -0.0006650011700000125
shell0_X0_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.82265354358343 1 1.0 0.0 0.0007842664929924581 -0.0007500974930000348 0.0007824501650048887 -0.0006650011700000125
