2020-03-23 12:19:50 +01:00
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=========================
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N2
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2020-03-25 15:41:34 +01:00
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CAS CAS-extrap CIPSI CIPSI-extrap
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avdz
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2020-03-25 16:27:13 +01:00
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N2 0.58771 0.32983 0.51397 0.29114
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2020-03-25 15:41:34 +01:00
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N 0.17232 0.09811 0.12742 0.07343
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------------- ---------- -------------------------
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avtz
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2020-03-26 10:13:52 +01:00
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N2 0.59162 0.38506 0.46139 0.30537
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2020-03-25 15:41:34 +01:00
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N 0.17302 0.11315 0.11173 0.07414
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------------- ---------- -------------------------
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avqz
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2020-03-26 10:13:52 +01:00
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N2 0.59242 0.42006 0.41934 0.29991
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2020-03-25 15:41:34 +01:00
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N 0.17307 0.12333 0.10612 0.07582
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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 1.16443 0.69100 0.97121
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O 0.51391 0.30623 0.41604 0.24934
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--------------------------------------------------
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avtz
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O2 1.16668 0.78996 0.88440
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O 0.51607 0.35068 0.37689 0.25768
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--------------------------------------------------
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avqz
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O2 1.16769 0.85386 0.84136
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O 0.51628 0.37922 0.36249 0.26283
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