Add N2 PES data.
Browse files- ya_N2_cc_pvdz_PES_14_56/0.8.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/0.9.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/1.0.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/1.09.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/1.2.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/1.4.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/1.6.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/1.8.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/2.0.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/2.2.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/2.4.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/2.6.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/2.8.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/3.0.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/3.2.FCIDUMP.gz +3 -0
- ya_N2_cc_pvdz_PES_14_56/FCIDUMP.json +17 -0
ya_N2_cc_pvdz_PES_14_56/0.8.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:7077bcbf8507b589257629b59be881d1fd87ed9b44ab4c37d052862b11d00dff
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size 496619
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ya_N2_cc_pvdz_PES_14_56/0.9.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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size 531697
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ya_N2_cc_pvdz_PES_14_56/1.0.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:b8942cc240f72a1eccd5ba2aef0d91ba85a6bc536e4010f245a594fa55876b4a
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ya_N2_cc_pvdz_PES_14_56/1.09.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:b3505f1172c426806921514dcddacdbd9d9f15710333de63de8ebfafcc03b4d4
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size 544772
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ya_N2_cc_pvdz_PES_14_56/1.2.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:ec01a2b8f7ba67449d78c91d3cc6d2594e974bc811888f7bfd8d1a74bcc900cf
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size 777689
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ya_N2_cc_pvdz_PES_14_56/1.4.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:34bc35a19bc1333ce4f148bc167f8d20e7c23e5a9b3a9e8b4613cc3e7da15302
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ya_N2_cc_pvdz_PES_14_56/1.6.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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size 881056
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ya_N2_cc_pvdz_PES_14_56/1.8.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:d9ce2ade6a0854d50a5f03c66fee06faf4a80116619a4fe7df101840801d7a30
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size 879633
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ya_N2_cc_pvdz_PES_14_56/2.0.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:db92d50c5dfc5676af7a4c5357b9346cd823d41354c7876147f6b32bb88c64e2
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size 920529
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ya_N2_cc_pvdz_PES_14_56/2.2.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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size 939409
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ya_N2_cc_pvdz_PES_14_56/2.4.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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size 1063582
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ya_N2_cc_pvdz_PES_14_56/2.6.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:38b44b073795dd14ba82c83877925d4db4e82124a791c7e757fd8e352428f0ed
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size 1277976
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ya_N2_cc_pvdz_PES_14_56/2.8.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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size 1302276
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ya_N2_cc_pvdz_PES_14_56/3.0.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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size 1498279
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ya_N2_cc_pvdz_PES_14_56/3.2.FCIDUMP.gz
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version https://git-lfs.github.com/spec/v1
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oid sha256:90e19a59c61e185b6e206faaef91b06dba6da7dc4e03a480f6e27bae9de4cca3
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size 1514732
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ya_N2_cc_pvdz_PES_14_56/FCIDUMP.json
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{
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"0.8": -108.6598548,
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"0.9": -109.0546362,
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"1.0": -109.22192,
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"1.09": -109.2663722,
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"1.2": -109.2506188,
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"1.4": -109.1483831,
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"1.6": -109.0377276,
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"1.8": -108.8705173,
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"2.0": -108.9119103,
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"2.2": -108.9243291,
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"2.4": -109.0139904,
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"2.6": -108.5665973,
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"2.8": -108.0369965,
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"3.0": -108.5530642,
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"3.2": -108.5677543
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}
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