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fix git stuff
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input/quantum_corrections/data.py

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@@ -417,47 +417,6 @@
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},
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"CompositeLevelOfTheory(freq=LevelOfTheory(method='wb97xd3',basis='def2tzvp',software='qchem'),energy=LevelOfTheory(method='ccsd(t)f12',basis='ccpvdzf12',software='molpro'))": {
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<<<<<<< HEAD
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'C#C': -0.7940736288861328,
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'C#N': -0.2736082180869344,
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'C#O': 1.215648303725274,
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'C-C': -0.006153161261658441,
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'C-Cl': 0.7595723077901367,
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'C-F': 0.4815204101380463,
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'C-H': 0.010156098370800108,
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'C-N': 0.10438905540134882,
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'C-O': 0.09987252247930076,
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'C-S': 0.4090396417072708,
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'C=C': -0.32837634513571645,
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'C=N': -0.6872690836499937,
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'C=O': -0.011879042720396643,
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'C=S': -0.45740929709171363,
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'Cl-Cl': -0.014451326911147977,
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'Cl-F': 0.6479093120532244,
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'Cl-H': 0.37650914650193457,
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'Cl-N': 0.5872703379266317,
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'Cl-O': 0.5095510277409292,
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'Cl-S': 0.646585596795355,
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'F-F': -0.7037812030852666,
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'F-H': 0.13879622147405257,
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'F-O': -0.5823379151756342,
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'F-S': 0.9474443582208304,
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'H-H': -0.00879296155638677,
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'H-N': -0.3973581320058072,
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'H-O': -0.05082328074118156,
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'H-S': 0.9006352849672502,
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'N#N': 0.6426432154389473,
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'N-N': 1.0261474051290596,
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'N-O': -0.03642922490749102,
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'N=N': 0.1708502331465831,
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'N=O': -0.8042125954300557,
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'O-O': -0.7325577965540944,
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'O-S': -0.18825122982916948,
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'O=O': -2.7021030234346695,
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'O=S': 0.9232025676598207,
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'S-S': 0.14102013117456597,
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'S=S': -0.9855656265939845
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=======
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'C#C': -0.6052322399541471,
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'C#N': -0.15387478974073196,
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'C#O': 1.3495267208804052,
@@ -501,7 +460,6 @@
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'O=S': 0.9395438684125166,
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'S-S': 0.162448613434227,
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'S=S': -0.9512223213246404
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>>>>>>> 891ee1b7a... BACs including Li for ccsd(t)f12/ccpvdzf12//wb97xd3/def2tzvp
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},
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"LevelOfTheory(method='b97d3',basis='def2msvp',software='qchem')": {

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