30 lines
1.4 KiB
Plaintext
30 lines
1.4 KiB
Plaintext
=========================
|
|
N2
|
|
CAS CAS-extrap CIPSI CIPSI-extrap
|
|
avdz
|
|
N2 0.58771 0.32983 0.51397 0.29114
|
|
N 0.17232 0.09811 0.12742 0.07343
|
|
------------- ---------- -------------------------
|
|
avtz
|
|
N2 0.59162 0.38506 0.46139 0.30537
|
|
N 0.17302 0.11315 0.11173 0.07414
|
|
------------- ---------- -------------------------
|
|
avqz
|
|
N2 0.59242 0.42006 0.41934 0.29991
|
|
N 0.17307 0.12333 0.10612 0.07582
|
|
============= ====================================
|
|
============= ====================================
|
|
O2
|
|
CAS CAS-extrap CIPSI
|
|
avdz
|
|
O2 1.16443 0.69100 0.97121
|
|
O 0.51391 0.30623 0.41604 0.24934
|
|
--------------------------------------------------
|
|
avtz
|
|
O2 1.16668 0.78996 0.88440
|
|
O 0.51607 0.35068 0.37689 0.25768
|
|
--------------------------------------------------
|
|
avqz
|
|
O2 1.16769 0.85386 0.84136
|
|
O 0.51628 0.37922 0.36249 0.26283
|