345 lines
10 KiB
Text
345 lines
10 KiB
Text
bin/dalton
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bin/dalton.x
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%%DATADIR%%/GIT_HASH
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%%DATADIR%%/VERSION
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%%DATADIR%%/basis/3-21++G
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%%DATADIR%%/basis/3-21++G*
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%%DATADIR%%/basis/3-21G
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%%DATADIR%%/basis/3-21G*
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%%DATADIR%%/basis/4-31G
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%%DATADIR%%/basis/6-31++G
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%%DATADIR%%/basis/6-31++G*
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%%DATADIR%%/basis/6-31++G**
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%%DATADIR%%/basis/6-31+G
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%%DATADIR%%/basis/6-31+G*
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%%DATADIR%%/basis/6-311++G(2d,2p)
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%%DATADIR%%/basis/6-311++G(3df,3pd)
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%%DATADIR%%/basis/6-311++G**
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%%DATADIR%%/basis/6-311+G*
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%%DATADIR%%/basis/6-311G
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%%DATADIR%%/basis/6-311G(2df,2pd)
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%%DATADIR%%/basis/6-311G*
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%%DATADIR%%/basis/6-311G**
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%%DATADIR%%/basis/6-31G
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%%DATADIR%%/basis/6-31G(3df,3pd)
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%%DATADIR%%/basis/6-31G*
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%%DATADIR%%/basis/6-31G**
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%%DATADIR%%/basis/ANO-DK3
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%%DATADIR%%/basis/ANO-RCC
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%%DATADIR%%/basis/Ahlrichs-Coulomb-Fit
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%%DATADIR%%/basis/Ahlrichs-TZV
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%%DATADIR%%/basis/Ahlrichs-VDZ
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%%DATADIR%%/basis/Ahlrichs-VTZ
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%%DATADIR%%/basis/Ahlrichs-pVDZ
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%%DATADIR%%/basis/Almlof-Taylor-ANO
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%%DATADIR%%/basis/DZ(Dunning)
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%%DATADIR%%/basis/DZ+Rydberg(Dunning)
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%%DATADIR%%/basis/DZP(Dunning)
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%%DATADIR%%/basis/DZP+Diffuse(Dunning)
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%%DATADIR%%/basis/DZP+Rydberg(Dunning)
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%%DATADIR%%/basis/GAMESS-PVTZ
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%%DATADIR%%/basis/GAMESS-VTZ
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%%DATADIR%%/basis/Huckel
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%%DATADIR%%/basis/Huckel_old
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%%DATADIR%%/basis/Huz-II
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%%DATADIR%%/basis/Huz-III
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%%DATADIR%%/basis/Huz-IIIsu3
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%%DATADIR%%/basis/Huz-IIsu2
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%%DATADIR%%/basis/Huz-IV
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%%DATADIR%%/basis/Huz-IVsu4
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%%DATADIR%%/basis/MINI(Huzinaga)
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%%DATADIR%%/basis/MINI(Scaled)
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%%DATADIR%%/basis/McLean-Chandler-VTZ
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%%DATADIR%%/basis/N07D:B3LYP
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%%DATADIR%%/basis/NASA-Ames-ANO
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%%DATADIR%%/basis/NQvD
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%%DATADIR%%/basis/STO-2G
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%%DATADIR%%/basis/STO-3G
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%%DATADIR%%/basis/STO-6G
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%%DATADIR%%/basis/SV(Dunning-Hay)
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%%DATADIR%%/basis/SV+DoubleRydberg(Dunning-Hay)
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%%DATADIR%%/basis/SV+Rydberg(Dunning-Hay)
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%%DATADIR%%/basis/SVP(Dunning-Hay)
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%%DATADIR%%/basis/SVP+Diffuse(Dunning-Hay)
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%%DATADIR%%/basis/Sadlej-pVTZ
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%%DATADIR%%/basis/Sadlej-pVTZ-J
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%%DATADIR%%/basis/TZ(Dunning)
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%%DATADIR%%/basis/Turbomole-DZ
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%%DATADIR%%/basis/Turbomole-DZP
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%%DATADIR%%/basis/Turbomole-QZV
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%%DATADIR%%/basis/Turbomole-QZVP
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%%DATADIR%%/basis/Turbomole-QZVPP
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%%DATADIR%%/basis/Turbomole-SV
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%%DATADIR%%/basis/Turbomole-SVP
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%%DATADIR%%/basis/Turbomole-TZ
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%%DATADIR%%/basis/Turbomole-TZP
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%%DATADIR%%/basis/Turbomole-TZV
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%%DATADIR%%/basis/Turbomole-TZV2P
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%%DATADIR%%/basis/Turbomole-TZVP
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%%DATADIR%%/basis/Turbomole-TZVPP
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%%DATADIR%%/basis/Turbomole-TZVPPP
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%%DATADIR%%/basis/UnitTest_genD
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%%DATADIR%%/basis/UnitTest_genF
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%%DATADIR%%/basis/UnitTest_genP
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%%DATADIR%%/basis/UnitTest_genS
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%%DATADIR%%/basis/UnitTest_segD
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%%DATADIR%%/basis/UnitTest_segD1p
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%%DATADIR%%/basis/UnitTest_segF
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%%DATADIR%%/basis/UnitTest_segF1p
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%%DATADIR%%/basis/UnitTest_segP
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%%DATADIR%%/basis/UnitTest_segP1p
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%%DATADIR%%/basis/UnitTest_segS
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%%DATADIR%%/basis/UnitTest_segS1p
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%%DATADIR%%/basis/UnitTest_segSP
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%%DATADIR%%/basis/Wachtersa+f
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%%DATADIR%%/basis/ano-1
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%%DATADIR%%/basis/ano-2
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%%DATADIR%%/basis/ano-3
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%%DATADIR%%/basis/ano-4
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%%DATADIR%%/basis/apc-0
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%%DATADIR%%/basis/apc-1
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%%DATADIR%%/basis/apc-2
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%%DATADIR%%/basis/apc-3
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%%DATADIR%%/basis/apc-4
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%%DATADIR%%/basis/aug-Test
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%%DATADIR%%/basis/aug-cc-pCV5Z
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%%DATADIR%%/basis/aug-cc-pCVDZ
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%%DATADIR%%/basis/aug-cc-pCVQZ
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%%DATADIR%%/basis/aug-cc-pCVTZ
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%%DATADIR%%/basis/aug-cc-pCVTZ-CTOCD-uc
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%%DATADIR%%/basis/aug-cc-pV(5+d)Z
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%%DATADIR%%/basis/aug-cc-pV(6+d)Z
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%%DATADIR%%/basis/aug-cc-pV(D+d)Z
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%%DATADIR%%/basis/aug-cc-pV(Q+d)Z
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%%DATADIR%%/basis/aug-cc-pV(T+d)Z
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%%DATADIR%%/basis/aug-cc-pV5Z
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%%DATADIR%%/basis/aug-cc-pV5Z-DK
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%%DATADIR%%/basis/aug-cc-pV5Z-RI
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%%DATADIR%%/basis/aug-cc-pV5Z_OPTRI
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%%DATADIR%%/basis/aug-cc-pV6Z
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%%DATADIR%%/basis/aug-cc-pV6Z-RI
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%%DATADIR%%/basis/aug-cc-pVDZ
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%%DATADIR%%/basis/aug-cc-pVDZ-DK
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%%DATADIR%%/basis/aug-cc-pVDZ-RI
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%%DATADIR%%/basis/aug-cc-pVDZ_OPTRI
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%%DATADIR%%/basis/aug-cc-pVQZ
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%%DATADIR%%/basis/aug-cc-pVQZ-DK
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%%DATADIR%%/basis/aug-cc-pVQZ-RI
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%%DATADIR%%/basis/aug-cc-pVQZ_OPTRI
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%%DATADIR%%/basis/aug-cc-pVTZ
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%%DATADIR%%/basis/aug-cc-pVTZ-DK
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%%DATADIR%%/basis/aug-cc-pVTZ-J
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%%DATADIR%%/basis/aug-cc-pVTZ-RI
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%%DATADIR%%/basis/aug-cc-pVTZ-lresc
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%%DATADIR%%/basis/aug-cc-pVTZ_OPTRI
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%%DATADIR%%/basis/aug-cc-pwCV5Z-RI
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%%DATADIR%%/basis/aug-cc-pwCVQZ-RI
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%%DATADIR%%/basis/aug-cc-pwCVTZ-RI
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%%DATADIR%%/basis/aug-ccJ-pVTZ
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%%DATADIR%%/basis/aug-pV7Z
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%%DATADIR%%/basis/aug-pc-0_emsl
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%%DATADIR%%/basis/aug-pc-1_emsl
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%%DATADIR%%/basis/aug-pc-2_emsl
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%%DATADIR%%/basis/aug-pc-3_emsl
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%%DATADIR%%/basis/aug-pc-4_emsl
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%%DATADIR%%/basis/aug-pcH-1
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%%DATADIR%%/basis/aug-pcH-2
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%%DATADIR%%/basis/aug-pcH-3
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%%DATADIR%%/basis/aug-pcH-4
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%%DATADIR%%/basis/aug-pcJ-0
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%%DATADIR%%/basis/aug-pcJ-1
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%%DATADIR%%/basis/aug-pcJ-2
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%%DATADIR%%/basis/aug-pcJ-3
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%%DATADIR%%/basis/aug-pcJ-4
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%%DATADIR%%/basis/aug-pcseg-0
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%%DATADIR%%/basis/aug-pcseg-1
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%%DATADIR%%/basis/aug-pcseg-2
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%%DATADIR%%/basis/aug-pcseg-3
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%%DATADIR%%/basis/aug-pcseg-4
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%%DATADIR%%/basis/aug_cc_pv5z_pp
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%%DATADIR%%/basis/aug_cc_pvdz_pp
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%%DATADIR%%/basis/aug_cc_pvqz_pp
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%%DATADIR%%/basis/aug_cc_pvtz_pp
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%%DATADIR%%/basis/cc-pCV5Z
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%%DATADIR%%/basis/cc-pCVDZ
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%%DATADIR%%/basis/cc-pCVQZ
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%%DATADIR%%/basis/cc-pCVTZ
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%%DATADIR%%/basis/cc-pV(5+d)Z
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%%DATADIR%%/basis/cc-pV(6+d)Z
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%%DATADIR%%/basis/cc-pV(D+d)Z
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%%DATADIR%%/basis/cc-pV(Q+d)Z
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%%DATADIR%%/basis/cc-pV(T+d)Z
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%%DATADIR%%/basis/cc-pV5Z
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%%DATADIR%%/basis/cc-pV5Z-DK
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%%DATADIR%%/basis/cc-pV5Z-RI
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%%DATADIR%%/basis/cc-pV5Zdenfit
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%%DATADIR%%/basis/cc-pV6Z
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%%DATADIR%%/basis/cc-pV6Z-RI
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%%DATADIR%%/basis/cc-pVDZ
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%%DATADIR%%/basis/cc-pVDZ-DK
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%%DATADIR%%/basis/cc-pVDZ-F12
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%%DATADIR%%/basis/cc-pVDZ-F12_OPTRI
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%%DATADIR%%/basis/cc-pVDZ-RI
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%%DATADIR%%/basis/cc-pVDZ-uncontracted
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%%DATADIR%%/basis/cc-pVDZ_emsl
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%%DATADIR%%/basis/cc-pVQZ
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%%DATADIR%%/basis/cc-pVQZ-DK
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%%DATADIR%%/basis/cc-pVQZ-F12
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%%DATADIR%%/basis/cc-pVQZ-F12_OPTRI
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%%DATADIR%%/basis/cc-pVQZ-RI
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%%DATADIR%%/basis/cc-pVQZdenfit
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%%DATADIR%%/basis/cc-pVTZ
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%%DATADIR%%/basis/cc-pVTZ-DK
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%%DATADIR%%/basis/cc-pVTZ-F12
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%%DATADIR%%/basis/cc-pVTZ-F12_OPTRI
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%%DATADIR%%/basis/cc-pVTZ-RI
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%%DATADIR%%/basis/cc-pVTZ_apra
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%%DATADIR%%/basis/cc-pVTZ_emsl
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%%DATADIR%%/basis/cc-pVTZdenfit
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%%DATADIR%%/basis/cc-pwCV5Z
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%%DATADIR%%/basis/cc-pwCV5Z-DK
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%%DATADIR%%/basis/cc-pwCVDZ
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%%DATADIR%%/basis/cc-pwCVQZ
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%%DATADIR%%/basis/cc-pwCVQZ-DK
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%%DATADIR%%/basis/cc-pwCVTZ
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%%DATADIR%%/basis/cc-pwCVTZ-DK
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%%DATADIR%%/basis/ccJ-pV5Z
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%%DATADIR%%/basis/ccJ-pVDZ
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%%DATADIR%%/basis/ccJ-pVQZ
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%%DATADIR%%/basis/ccJ-pVTZ
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%%DATADIR%%/basis/cc_pv5z_pp
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%%DATADIR%%/basis/cc_pvdz_pp
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%%DATADIR%%/basis/cc_pvqz_pp
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%%DATADIR%%/basis/cc_pvtz_pp
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%%DATADIR%%/basis/cc_pwcv5z_pp
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%%DATADIR%%/basis/cc_pwcvdz_pp
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%%DATADIR%%/basis/cc_pwcvqz_pp
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%%DATADIR%%/basis/cc_pwcvtz_pp
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%%DATADIR%%/basis/crenbl_ecp
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%%DATADIR%%/basis/crenbs_ecp
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%%DATADIR%%/basis/def2_qzvp
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%%DATADIR%%/basis/def2_qzvpp
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%%DATADIR%%/basis/def2_sv_p
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%%DATADIR%%/basis/def2_svp
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%%DATADIR%%/basis/def2_tzvp
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%%DATADIR%%/basis/def2_tzvpd
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%%DATADIR%%/basis/def2_tzvpp
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%%DATADIR%%/basis/df-def2
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%%DATADIR%%/basis/diffs
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%%DATADIR%%/basis/dzq
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%%DATADIR%%/basis/ecp-sdd-DZ
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%%DATADIR%%/basis/ecp_data/aug_cc_pv5z_pp
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%%DATADIR%%/basis/ecp_data/aug_cc_pvdz_pp
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%%DATADIR%%/basis/ecp_data/aug_cc_pvqz_pp
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%%DATADIR%%/basis/ecp_data/aug_cc_pvtz_pp
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%%DATADIR%%/basis/ecp_data/cc_pv5z_pp
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%%DATADIR%%/basis/ecp_data/cc_pvdz_pp
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%%DATADIR%%/basis/ecp_data/cc_pvqz_pp
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%%DATADIR%%/basis/ecp_data/cc_pvtz_pp
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%%DATADIR%%/basis/ecp_data/cc_pwcv5z_pp
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%%DATADIR%%/basis/ecp_data/cc_pwcvdz_pp
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%%DATADIR%%/basis/ecp_data/cc_pwcvqz_pp
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%%DATADIR%%/basis/ecp_data/cc_pwcvtz_pp
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%%DATADIR%%/basis/ecp_data/crenbl_ecp
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%%DATADIR%%/basis/ecp_data/crenbs_ecp
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%%DATADIR%%/basis/ecp_data/def2_qzvp
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%%DATADIR%%/basis/ecp_data/def2_qzvpp
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%%DATADIR%%/basis/ecp_data/def2_sv_p
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%%DATADIR%%/basis/ecp_data/def2_svp
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%%DATADIR%%/basis/ecp_data/def2_tzvp
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%%DATADIR%%/basis/ecp_data/def2_tzvpd_pp
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%%DATADIR%%/basis/ecp_data/def2_tzvpp
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%%DATADIR%%/basis/ecp_data/dzq
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%%DATADIR%%/basis/ecp_data/ecp-sdd-DZ
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%%DATADIR%%/basis/ecp_data/hay_wadt_mb_n1_ecp
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%%DATADIR%%/basis/ecp_data/hay_wadt_vdz_n1_ecp
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%%DATADIR%%/basis/ecp_data/lanl08
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%%DATADIR%%/basis/ecp_data/lanl08_f
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%%DATADIR%%/basis/ecp_data/lanl08_p
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%%DATADIR%%/basis/ecp_data/lanl08d
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%%DATADIR%%/basis/ecp_data/lanl2dz_ecp
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%%DATADIR%%/basis/ecp_data/lanl2dzdp_ecp
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%%DATADIR%%/basis/ecp_data/lanl2tz
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%%DATADIR%%/basis/ecp_data/lanl2tz_f
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%%DATADIR%%/basis/ecp_data/lanl2tz_p
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%%DATADIR%%/basis/ecp_data/modified_lanl2dz
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%%DATADIR%%/basis/ecp_data/pe_pp
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%%DATADIR%%/basis/ecp_data/sbkjc_polarized_p_2d_lfk
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%%DATADIR%%/basis/ecp_data/sbkjc_vdz_ecp
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%%DATADIR%%/basis/ecp_data/sdb_aug_cc_pvqz
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%%DATADIR%%/basis/ecp_data/sdb_aug_cc_pvtz
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%%DATADIR%%/basis/ecp_data/sdb_cc_pvqz
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%%DATADIR%%/basis/ecp_data/sdb_cc_pvtz
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%%DATADIR%%/basis/ecp_data/stuttgart_rlc_ecp
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%%DATADIR%%/basis/ecp_data/stuttgart_rsc_1997_ecp
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%%DATADIR%%/basis/ecp_data/stuttgart_rsc_ano_ecp
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%%DATADIR%%/basis/ecp_data/stuttgart_rsc_segmented_ecp
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%%DATADIR%%/basis/hay_wadt_mb_n1_ecp
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%%DATADIR%%/basis/hay_wadt_vdz_n1_ecp
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%%DATADIR%%/basis/lanl08
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%%DATADIR%%/basis/lanl08_f
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%%DATADIR%%/basis/lanl08_p
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%%DATADIR%%/basis/lanl08d
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%%DATADIR%%/basis/lanl2dz_ecp
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%%DATADIR%%/basis/lanl2dzdp_ecp
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%%DATADIR%%/basis/lanl2tz
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%%DATADIR%%/basis/lanl2tz_f
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%%DATADIR%%/basis/lanl2tz_p
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%%DATADIR%%/basis/loprop-6-31+G*
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%%DATADIR%%/basis/loprop-6-31G*
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%%DATADIR%%/basis/loprop-aug-cc-pVDZ
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%%DATADIR%%/basis/loprop-aug-cc-pVQZ
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%%DATADIR%%/basis/loprop-aug-cc-pVTZ
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%%DATADIR%%/basis/loprop-augx-cc-pVDZ
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%%DATADIR%%/basis/loprop-cc-pVDZ
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%%DATADIR%%/basis/loprop-cc-pVTZ
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%%DATADIR%%/basis/modified_lanl2dz
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%%DATADIR%%/basis/pV6Z
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%%DATADIR%%/basis/pV7Z
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%%DATADIR%%/basis/pc-0
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%%DATADIR%%/basis/pc-0_emsl
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%%DATADIR%%/basis/pc-1
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%%DATADIR%%/basis/pc-1_emsl
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%%DATADIR%%/basis/pc-2
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%%DATADIR%%/basis/pc-2_emsl
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%%DATADIR%%/basis/pc-3
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%%DATADIR%%/basis/pc-3_emsl
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%%DATADIR%%/basis/pc-4
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%%DATADIR%%/basis/pc-4_emsl
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%%DATADIR%%/basis/pcH-1
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%%DATADIR%%/basis/pcH-2
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%%DATADIR%%/basis/pcH-3
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%%DATADIR%%/basis/pcH-4
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%%DATADIR%%/basis/pcJ-0
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%%DATADIR%%/basis/pcJ-1
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%%DATADIR%%/basis/pcJ-2
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%%DATADIR%%/basis/pcJ-3
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%%DATADIR%%/basis/pcJ-4
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%%DATADIR%%/basis/pcS-0
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%%DATADIR%%/basis/pcS-1
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%%DATADIR%%/basis/pcS-2
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%%DATADIR%%/basis/pcS-3
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%%DATADIR%%/basis/pcS-4
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%%DATADIR%%/basis/pcseg-0
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%%DATADIR%%/basis/pcseg-1
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%%DATADIR%%/basis/pcseg-2
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%%DATADIR%%/basis/pcseg-3
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%%DATADIR%%/basis/pcseg-4
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%%DATADIR%%/basis/raf-r
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%%DATADIR%%/basis/sbkjc_polarized_p_2d_lfk
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%%DATADIR%%/basis/sbkjc_vdz_ecp
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%%DATADIR%%/basis/sdb_aug_cc_pvqz
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%%DATADIR%%/basis/sdb_aug_cc_pvtz
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%%DATADIR%%/basis/sdb_cc_pvqz
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%%DATADIR%%/basis/sdb_cc_pvtz
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%%DATADIR%%/basis/stuttgart_rlc_ecp
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%%DATADIR%%/basis/stuttgart_rsc_1997_ecp
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%%DATADIR%%/basis/stuttgart_rsc_ano_ecp
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%%DATADIR%%/basis/stuttgart_rsc_segmented_ecp
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%%DATADIR%%/basis/testbasis
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%%DATADIR%%/basis/transformformattetBasistoFreeFormat.f90
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%%DATADIR%%/tools/FChk2HES
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%%DATADIR%%/tools/aces2dalton
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%%DATADIR%%/tools/distances
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%%DATADIR%%/tools/labread
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%%DATADIR%%/tools/xyz2dalton
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