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Add Code value for each data file
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# title : Water
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# code :
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# code : Dalton
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CC3
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# basis : aug-cc-pVDZ,gaussian
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CCSDT
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# basis : aug-cc-pVDZ,gaussian
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CCSDTQ
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# basis : aug-cc-pVDZ,gaussian
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CCSDTQP
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# basis : aug-cc-pVDZ,gaussian
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : exFCI
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# basis : aug-cc-pVDZ,gaussian
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@ -1,5 +1,5 @@
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# title : Water
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# code :
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# code : Dalton
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CC3
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# basis : aug-cc-pVTZ,gaussian
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@ -1,5 +1,5 @@
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CCSDT
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# basis : aug-cc-pVTZ,gaussian
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@ -1,5 +1,5 @@
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : CCSDTQ
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# basis : aug-cc-pVTZ,gaussian
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@ -1,5 +1,5 @@
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# title : Water
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# code :
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# code : MRCC
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# geometry: CC3,aug-cc-pVTZ,gaussian
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# method : exFCI
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# basis : aug-cc-pVTZ,gaussian
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