File list of package cclib-data in jammy of architecture all

/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/NH3.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/NH3.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_ir.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_td.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/metadata.txt
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2007.01/mo_sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/MoOCl4-sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/MoOCl4-sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/NH3.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/NH3.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt_b.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_gopt_b.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_ir.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_ir.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_b.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_b.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_c.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_c.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_d.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_sp_d.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_td.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_td.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp_c.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/dvb_un_sp_c.adfout
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/mo_sp.adfin
/usr/lib/python3/dist-packages/cclib/data/ADF/basicADF2013.01/mo_sp.adfout
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/MoOCl4-sp.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/MoOCl4-sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_gopt_d.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_gopt_d.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_ir.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_raman.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_raman.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_sp_b.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_sp_b.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_un_sp_b.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/dvb_un_sp_b.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/metadata.txt
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/water_mp2.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/water_mp2.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/water_mp3.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK7.0/water_mp3.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/MoOCl4-sp.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/MoOCl4-sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_gopt_hf.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_gopt_hf.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_gopt_ks.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_gopt_ks.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_ir.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_raman.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_raman.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_sp_hf.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_sp_hf.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_sp_ks.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_sp_ks.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_un_sp_hf.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_un_sp_hf.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_un_sp_ks.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/dvb_un_sp_ks.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/water_mp2.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/water_mp2.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/water_mp3.in
/usr/lib/python3/dist-packages/cclib/data/GAMESS-UK/basicGAMESS-UK8.0/water_mp3.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/C_bigbasis.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/C_bigbasis.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_gopt_a.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_gopt_a.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_ir.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_raman.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_raman.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td_trplet.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_td_trplet.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_un_sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/dvb_un_sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/water_mp2.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicFirefly8.0/water_mp2.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/C_bigbasis.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/C_bigbasis.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/C_bigbasis.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/MoOCl4-sp.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/MoOCl4-sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/MoOCl4-sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/Trp_polar_tdhf.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/Trp_polar_tdhf.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/Trp_polar_tdhf.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_gopt_a.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_gopt_a.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_gopt_a.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_ir.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_ir.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_sp.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td_trplet.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td_trplet.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_td_trplet.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_un_sp.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_un_sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/dvb_un_sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/metadata.txt
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/nh3_ts_ir.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/nh3_ts_ir.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/nh3_ts_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccd.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccd.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccd.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd(t).dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd(t).inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd(t).out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_ccsd.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_dets.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_dets.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_dets.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_saps.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_saps.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_cis_saps.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_mp2.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_mp2.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2017/water_mp2.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/C_bigbasis.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/C_bigbasis.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/C_bigbasis.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/MoOCl4-sp.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/MoOCl4-sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/MoOCl4-sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/Trp_polar_tdhf.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/Trp_polar_tdhf.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/Trp_polar_tdhf.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_gopt_a.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_gopt_a.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_gopt_a.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_ir.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_ir.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_sp.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td_trplet.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td_trplet.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_td_trplet.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp_ghost.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp_ghost.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/dvb_un_sp_ghost.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/metadata.txt
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/nh3_ts_ir.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/nh3_ts_ir.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/nh3_ts_ir.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccd.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccd.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccd.out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd(t).dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd(t).inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd(t).out
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd.dat
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd.inp
/usr/lib/python3/dist-packages/cclib/data/GAMESS/basicGAMESS-US2018/water_ccsd.out
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