30 lines
1.0 KiB
Plaintext
30 lines
1.0 KiB
Plaintext
=========================
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N2
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CAS CAS-extrap CIPSI
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avdz
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N2 0.587712 0.337529 0.513967
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N 0.172320 0.100855 0.127420
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-------------------------------------
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avtz
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N2 0.591622 0.388739 0.461386
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N 0.173022 0.114365 0.111726
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-------------------------------------
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avqz
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N2 0.592422 0.423673 0.419336
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0.173071 0.124562 0.106121
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======================================
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======================================
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O2
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CAS CAS-extrap CIPSI
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avdz
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O2 1.164428 0.70775731 0.97121
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O 0.513919 0.31497205 0.41604
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--------------------------------------
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avtz
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O2 1.166676 0.79715452 0.88440
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O 0.516070 0.36905624 0.37689
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--------------------------------------
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avqz
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O2 1.167688 0.861134291 0.84136
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O 0.516288 0.398760190 0.36249
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