2020-03-23 12:19:50 +01:00
|
|
|
=========================
|
|
|
|
|
N2
|
|
|
|
|
CAS CIPSI
|
|
|
|
|
avdz
|
|
|
|
|
N2 0.587712 0.513967
|
|
|
|
|
N 0.172320 0.127420
|
|
|
|
|
------------------------
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|
|
|
|
avtz
|
|
|
|
|
N2 0.591622 0.461386
|
|
|
|
|
N 0.173022 0.111726
|
|
|
|
|
------------------------
|
|
|
|
|
avqz
|
|
|
|
|
N2 0.592422 0.419336
|
|
|
|
|
0.173071 0.106121
|
|
|
|
|
=========================
|
|
|
|
|
=========================
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|
|
|
|
O2
|
|
|
|
|
CAS CIPSI
|
|
|
|
|
avdz
|
2020-03-23 16:02:56 +01:00
|
|
|
O2 1.164428 0.97121
|
2020-03-23 12:19:50 +01:00
|
|
|
O 0.513919 0.41604
|
|
|
|
|
------------------------
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|
|
|
|
avtz
|
2020-03-24 10:43:02 +01:00
|
|
|
O2 1.166676 0.88440
|
2020-03-23 12:19:50 +01:00
|
|
|
O 0.516070 0.37689
|
|
|
|
|
------------------------
|
|
|
|
|
avqz
|
2020-03-23 16:02:56 +01:00
|
|
|
O2 1.167688 0.84136
|
2020-03-23 12:19:50 +01:00
|
|
|
O 0.516288 0.36249
|
