# data_tab

elt: H
data:
Element Symbol: H
Number of replaced protons: 0
Number of projectors: 0

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
1.00000000	-1	4.47692410
4.47692410	1	2.97636451
-4.32112340	0	3.01841596

Non-local component: 
Coeff.		r^n	Exp.		Proj.


elt: He
data:
Element Symbol: He
Number of replaced protons: 0
Number of projectors: 0

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
2.00000000	-1	9.84368811
19.68737622	1	10.94516233
-17.20570338	0	12.03715264

Non-local component: 
Coeff.		r^n	Exp.		Proj.


elt: Li
data:
Element Symbol: Li
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
1.00000000	-1	5.41040609
5.41040609	1	2.70520138
-4.60151975	0	2.07005488

Non-local component: 
Coeff.		r^n	Exp.		Proj.
7.09172172	0	1.34319829	|0><0|


elt: Be
data:
Element Symbol: Be
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
2.00000000	-1	4.58686001
9.17372003	1	2.29371778
-8.12599146	0	2.10401964

Non-local component: 
Coeff.		r^n	Exp.		Proj.
14.90499810	0	2.71723988	|0><0|


elt: B
data:
Element Symbol: B
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
3.00000000	-1	5.40423964
16.21271892	1	5.71678458
-11.86640633	0	4.48974455

Non-local component: 
Coeff.		r^n	Exp.		Proj.
15.49737620	0	3.43781634	|0><0|


elt: C
data:
Element Symbol: C
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
4.00000000	-1	8.35973821
33.43895285	1	4.48361888
-19.17537323	0	3.93831258

Non-local component: 
Coeff.		r^n	Exp.		Proj.
22.55164191	0	5.02991637	|0><0|


elt: N
data:
Element Symbol: N
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
5.00000000	-1	9.23501007
46.17505034	1	7.66830008
-30.18893534	0	7.34486070

Non-local component: 
Coeff.		r^n	Exp.		Proj.
31.69720409	0	6.99536540	|0><0|


elt: O
data:
Element Symbol: O
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
6.00000000	-1	9.29793903
55.78763416	1	8.86492204
-38.81978498	0	8.62925665

Non-local component: 
Coeff.		r^n	Exp.		Proj.
38.41914135	0	8.71924452	|0><0|


elt: F
data:
Element Symbol: F
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
7.00000000	-1	11.39210685
79.74474797	1	10.74911370
-49.45159098	0	10.45120693

Non-local component: 
Coeff.		r^n	Exp.		Proj.
50.25646328	0	11.30345826	|0><0|


elt: Ne
data:
Element Symbol: Ne
Number of replaced protons: 2
Number of projectors: 1

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
8.00000000	-1	10.74945199
85.99561593	1	10.19801460
-56.79004456	0	10.18694048

Non-local component: 
Coeff.		r^n	Exp.		Proj.
55.11144535	0	12.85042963	|0><0|


elt: Na
data:
Element Symbol: Na
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
1.00000000	-1	5.35838717
5.35838717	1	3.67918975
-2.07764789	0	1.60507673

Non-local component: 
Coeff.		r^n	Exp.		Proj.
10.69640234	0	1.32389367	|0><0|
10.11238853	0	1.14052020	|1><1|


elt: Mg
data:
Element Symbol: Mg
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
2.00000000	-1	4.48537898
8.97075796	1	2.24268949
-7.72153408	0	1.59710474

Non-local component: 
Coeff.		r^n	Exp.		Proj.
15.07848048	0	1.57188656	|0><0|
12.37888383	0	1.42757357	|1><1|


elt: Al
data:
Element Symbol: Al
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
3.00000000	-1	3.07301275
9.21903825	1	9.97055633
-9.65888637	0	2.64134660

Non-local component: 
Coeff.		r^n	Exp.		Proj.
17.16680112	0	1.87284747	|0><0|
14.22120694	0	1.79397208	|1><1|


elt: Si
data:
Element Symbol: Si
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
4.00000000	-1	1.80721061
7.22884246	1	9.99633089
-13.06725590	0	2.50043232

Non-local component: 
Coeff.		r^n	Exp.		Proj.
21.20531613	0	2.26686403	|0><0|
15.43693603	0	2.11659661	|1><1|


elt: P
data:
Element Symbol: P
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
5.00000000	-1	2.02622810
10.13114051	1	9.95970113
-14.94375088	0	2.74841795

Non-local component: 
Coeff.		r^n	Exp.		Proj.
23.62479480	0	2.60470698	|0><0|
18.18547203	0	2.54957900	|1><1|


elt: S
data:
Element Symbol: S
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
6.00000000	-1	2.42178462
14.53070769	1	6.74148698
-17.52965289	0	3.06094751

Non-local component: 
Coeff.		r^n	Exp.		Proj.
25.99260928	0	2.94272173	|0><0|
18.93356489	0	2.84566981	|1><1|


elt: Cl
data:
Element Symbol: Cl
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
7.00000000	-1	2.41079533
16.87556731	1	5.29139158
-18.80917558	0	2.91105513

Non-local component: 
Coeff.		r^n	Exp.		Proj.
28.59107316	0	3.34528827	|0><0|
19.37583724	0	3.12408551	|1><1|


elt: Ar
data:
Element Symbol: Ar
Number of replaced protons: 10
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
8.00000000	-1	3.09403094
24.75224749	1	6.53700323
-20.38446872	0	3.35769859

Non-local component: 
Coeff.		r^n	Exp.		Proj.
30.67006675	0	3.68203169	|0><0|
20.84338017	0	3.45735664	|1><1|


elt: K
data:
Element Symbol: K
Number of replaced protons: 18
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
1.00000000	-1	5.46842198
5.46842198	1	3.45438113
-7.43169289	0	0.86173842

Non-local component: 
Coeff.		r^n	Exp.		Proj.
34.84862909	0	0.98715169	|0><0|
33.69024309	0	0.75016011	|1><1|


elt: Ca
data:
Element Symbol: Ca
Number of replaced protons: 18
Number of projectors: 2

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
2.00000000	-1	5.46886760
10.93773521	1	3.45174786
-7.42323874	0	0.93761419

Non-local component: 
Coeff.		r^n	Exp.		Proj.
34.65752096	0	1.08463527	|0><0|
34.12044224	0	0.91231229	|1><1|


elt: Ga
data:
Element Symbol: Ga
Number of replaced protons: 28
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
3.00000000	-1	1.22544253
3.67632759	1	5.71065133
-11.23828733	0	1.33931968

Non-local component: 
Coeff.		r^n	Exp.		Proj.
57.88512249	0	2.48772664	|0><0|
43.67871044	0	2.12489462	|1><1|
17.97137628	0	1.27124173	|2><2|


elt: Ge
data:
Element Symbol: Ge
Number of replaced protons: 28
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
4.00000000	-1	1.88492329
7.53969315	1	9.98137268
-13.13622589	0	1.98008364

Non-local component: 
Coeff.		r^n	Exp.		Proj.
61.26369269	0	3.03315885	|0><0|
55.52495744	0	2.76564031	|1><1|
23.49168485	0	1.66026543	|2><2|


elt: As
data:
Element Symbol: As
Number of replaced protons: 28
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
5.00000000	-1	1.21796059
6.08980295	1	9.96302171
-14.92625816	0	1.86158567

Non-local component: 
Coeff.		r^n	Exp.		Proj.
73.75553709	0	3.54546456	|0><0|
68.03580909	0	3.28664249	|1><1|
23.32540737	0	1.95862616	|2><2|


elt: Se
data:
Element Symbol: Se
Number of replaced protons: 28
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
6.00000000	-1	1.73494732
10.40968393	1	6.91632737
-17.83199463	0	3.10551681

Non-local component: 
Coeff.		r^n	Exp.		Proj.
85.94238004	0	4.67503354	|0><0|
78.84838432	0	4.34256579	|1><1|
30.92151589	0	2.61905005	|2><2|


elt: Br
data:
Element Symbol: Br
Number of replaced protons: 28
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
7.00000000	-1	1.86793881
13.07557164	1	5.30536536
-18.79056037	0	3.32134623

Non-local component: 
Coeff.		r^n	Exp.		Proj.
88.58537968	0	5.17694821	|0><0|
79.43718432	0	4.80714881	|1><1|
29.35463757	0	3.03534088	|2><2|


elt: Kr
data:
Element Symbol: Kr
Number of replaced protons: 28
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
8.00000000	-1	1.72397711
13.79181690	1	6.70510242
-22.77215308	0	2.75463922

Non-local component: 
Coeff.		r^n	Exp.		Proj.
92.78570269	0	4.85045356	|0><0|
80.37767796	0	4.52350391	|1><1|
31.36172413	0	3.04556109	|2><2|


elt: Rb
data:
Element Symbol: Rb
Number of replaced protons: 36
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
1.00000000	-1	4.38377252
4.38377252	1	3.19763054
-14.25890642	0	0.92493011

Non-local component: 
Coeff.		r^n	Exp.		Proj.
120.87192624	0	1.14964523	|0><0|
110.02656159	0	0.75675227	|1><1|
22.44443305	0	1.97938422	|2><2|


elt: Sr
data:
Element Symbol: Sr
Number of replaced protons: 36
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
2.00000000	-1	4.38393876
8.76787753	1	3.19649834
-14.25524313	0	0.98991497

Non-local component: 
Coeff.		r^n	Exp.		Proj.
146.87160520	0	1.28683494	|0><0|
140.02622842	0	0.95674483	|1><1|
24.44548775	0	1.94831654	|2><2|


elt: In
data:
Element Symbol: In
Number of replaced protons: 46
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
3.00000000	-1	0.84508372
2.53525117	1	5.66019931
-7.66579852	0	0.85764327

Non-local component: 
Coeff.		r^n	Exp.		Proj.
58.16918845	0	1.87837596	|0><0|
43.63891951	0	1.51547534	|1><1|
17.93363847	0	0.83917399	|2><2|


elt: Sn
data:
Element Symbol: Sn
Number of replaced protons: 46
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
4.00000000	-1	0.61334103
2.45336413	1	5.67826592
-9.33070594	0	0.86945138

Non-local component: 
Coeff.		r^n	Exp.		Proj.
58.04190484	0	2.01380769	|0><0|
43.68447157	0	1.63883815	|1><1|
17.95660523	0	0.92346533	|2><2|


elt: Sb
data:
Element Symbol: Sb
Number of replaced protons: 46
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
5.00000000	-1	0.74773404
3.73867018	1	5.79307847
-13.88202267	0	1.07909250

Non-local component: 
Coeff.		r^n	Exp.		Proj.
57.56076138	0	2.04356327	|0><0|
43.88817098	0	1.70062095	|1><1|
17.82275877	0	1.00414410	|2><2|


elt: Te
data:
Element Symbol: Te
Number of replaced protons: 46
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
6.00000000	-1	1.28872858
7.73237146	1	5.81046154
-13.65642757	0	1.55436985

Non-local component: 
Coeff.		r^n	Exp.		Proj.
57.52907325	0	2.39157624	|0><0|
43.70165092	0	1.96781367	|1><1|
18.64325026	0	1.13849722	|2><2|


elt: I
data:
Element Symbol: I
Number of replaced protons: 46
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
7.00000000	-1	1.01780923
7.12466460	1	3.60136147
-29.18419372	0	1.68345378

Non-local component: 
Coeff.		r^n	Exp.		Proj.
108.68417388	0	2.80278521	|0><0|
99.35380694	0	2.51494051	|1><1|
41.32653157	0	1.56672279	|2><2|


elt: Xe
data:
Element Symbol: Xe
Number of replaced protons: 46
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
8.00000000	-1	1.22029027
9.76232213	1	5.14625292
-32.16318995	0	2.10563577

Non-local component: 
Coeff.		r^n	Exp.		Proj.
110.93633943	0	3.20320603	|0><0|
99.49007680	0	2.86062806	|1><1|
41.81892440	0	1.74523568	|2><2|


elt: Cs
data:
Element Symbol: Cs
Number of replaced protons: 54
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
1.00000000	-1	4.56591654
4.56591654	1	3.44071226
-10.05901330	0	0.53597632

Non-local component: 
Coeff.		r^n	Exp.		Proj.
80.60678398	0	0.75497262	|0><0|
38.41951903	0	0.45697820	|1><1|
34.36421109	0	1.21638889	|2><2|


elt: Ba
data:
Element Symbol: Ba
Number of replaced protons: 54
Number of projectors: 3

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
2.00000000	-1	4.56523866
9.13047731	1	3.44590138
-11.09995006	0	0.73875795

Non-local component: 
Coeff.		r^n	Exp.		Proj.
84.60641087	0	0.87685449	|0><0|
42.41929187	0	0.55569714	|1><1|
35.35527943	0	1.68654278	|2><2|


elt: Tl
data:
Element Symbol: Tl
Number of replaced protons: 78
Number of projectors: 4

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
3.00000000	-1	1.34540299
4.03620897	1	1.80622564
-21.68751419	0	0.88272932

Non-local component: 
Coeff.		r^n	Exp.		Proj.
91.69120822	0	1.55008480	|0><0|
85.52036047	0	1.34656124	|1><1|
62.00124014	0	0.92193030	|2><2|
45.59483689	0	0.95782546	|3><3|


elt: Pb
data:
Element Symbol: Pb
Number of replaced protons: 78
Number of projectors: 4

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
4.00000000	-1	1.33905502
5.35622008	1	3.57680327
-25.11165802	0	1.08584447

Non-local component: 
Coeff.		r^n	Exp.		Proj.
121.69447681	0	1.89957262	|0><0|
114.36466627	0	1.64009233	|1><1|
49.32959048	0	0.93051806	|2><2|
45.59434323	0	1.07638351	|3><3|


elt: Bi
data:
Element Symbol: Bi
Number of replaced protons: 78
Number of projectors: 4

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
5.00000000	-1	1.32337887
6.61689433	1	3.57500194
-25.11872438	0	1.26988106

Non-local component: 
Coeff.		r^n	Exp.		Proj.
121.69346942	0	2.17897203	|0><0|
114.36404033	0	1.85248885	|1><1|
59.32816833	0	1.10815262	|2><2|
55.59430794	0	1.13749297	|3><3|


elt: Po
data:
Element Symbol: Po
Number of replaced protons: 78
Number of projectors: 4

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
6.00000000	-1	1.12915012
6.77490072	1	3.57645639
-27.15687722	0	1.43566151

Non-local component: 
Coeff.		r^n	Exp.		Proj.
123.68767392	0	2.45166968	|0><0|
116.36047985	0	2.06261668	|1><1|
81.32822758	0	1.28212112	|2><2|
80.59441478	0	1.32883356	|3><3|


elt: At
data:
Element Symbol: At
Number of replaced protons: 78
Number of projectors: 4

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
7.00000000	-1	1.03089969
7.21629781	1	3.69262441
-29.19452905	0	1.45693225

Non-local component: 
Coeff.		r^n	Exp.		Proj.
128.68209352	0	2.56609159	|0><0|
119.35613288	0	2.15280178	|1><1|
80.33152157	0	1.37630746	|2><2|
80.58962589	0	1.47835294	|3><3|


elt: Rn
data:
Element Symbol: Rn
Number of replaced protons: 78
Number of projectors: 4

Pseudopotential data:

Local component: 
Coeff.		r^n	Exp.
8.00000000	-1	1.09138091
8.73104728	1	3.03187023
-29.28994938	0	1.65026568

Non-local component: 
Coeff.		r^n	Exp.		Proj.
128.63606138	0	2.92260183	|0><0|
119.39674828	0	2.42144059	|1><1|
80.33096401	0	1.49781359	|2><2|
80.58961959	0	1.47976575	|3><3|


elt: H
data:
Element Symbol: H
Basis-namevdz: vdz
HF-Energy: -0.499045
CCSD(T)-Energy: -0.499045
9
s 0.013000 0.000706
s 0.029900 -0.002119
s 0.068770 0.057693
s 0.158170 0.230695
s 0.363792 0.277612
s 0.836721 0.169833
s 1.924458 0.097443
s 4.426254 0.029966
s 10.180385 -0.000452
1
s 0.170483 1.000000
9
p 0.003000 0.001242
p 0.007800 -0.000913
p 0.020281 -0.000054
p 0.052730 -0.000238
p 0.137097 -0.011530
p 0.356451 -0.018235
p 0.926774 -0.013929
p 2.409612 -0.009395
p 6.264991 -0.000347


elt: H
data:
Element Symbol: H
Basis-namevtz: vtz
HF-Energy: -0.499043
CCSD(T)-Energy: -0.499043
9
s 0.013000 0.000706
s 0.029900 -0.002119
s 0.068770 0.057693
s 0.158170 0.230695
s 0.363792 0.277612
s 0.836721 0.169833
s 1.924458 0.097443
s 4.426254 0.029966
s 10.180385 -0.000452
1
s 0.170654 1.000000
9
p 0.003000 0.001242
p 0.007800 -0.000913
p 0.020281 -0.000054
p 0.052730 -0.000238
p 0.137097 -0.011530
p 0.356451 -0.018235
p 0.926774 -0.013929
p 2.409612 -0.009395
p 6.264991 -0.000347
1
p 0.495357 1.000000
1
d 0.955745 1.000000


elt: H
data:
Element Symbol: H
Basis-namevqz: vqz
HF-Energy: -0.499916
CCSD(T)-Energy: -0.499916
9
s 0.013000 0.000706
s 0.029900 -0.002119
s 0.068770 0.057693
s 0.158170 0.230695
s 0.363792 0.277612
s 0.836721 0.169833
s 1.924458 0.097443
s 4.426254 0.029966
s 10.180385 -0.000452
1
s 0.120599 1.000000
1
s 0.404783 1.000000
1
s 0.715129 1.000000
9
p 0.003000 0.001242
p 0.007800 -0.000913
p 0.020281 -0.000054
p 0.052730 -0.000238
p 0.137097 -0.011530
p 0.356451 -0.018235
p 0.926774 -0.013929
p 2.409612 -0.009395
p 6.264991 -0.000347
1
p 0.774536 1.000000
1
p 0.263038 1.000000
1
d 2.315883 1.000000
1
d 0.636656 1.000000
1
f 1.130819 1.000000


elt: H
data:
Element Symbol: H
Basis-namev5z: v5z
HF-Energy: -0.499905
CCSD(T)-Energy: -0.499905
9
s 0.013000 0.000706
s 0.029900 -0.002119
s 0.068770 0.057693
s 0.158170 0.230695
s 0.363792 0.277612
s 0.836721 0.169833
s 1.924458 0.097443
s 4.426254 0.029966
s 10.180385 -0.000452
1
s 0.122344 1.000000
1
s 0.402892 1.000000
1
s 0.715047 1.000000
1
s 1.379838 1.000000
9
p 0.003000 0.001242
p 0.007800 -0.000913
p 0.020281 -0.000054
p 0.052730 -0.000238
p 0.137097 -0.011530
p 0.356451 -0.018235
p 0.926774 -0.013929
p 2.409612 -0.009395
p 6.264991 -0.000347
1
p 0.784765 1.000000
1
p 0.173606 1.000000
1
p 0.513665 1.000000
1
d 2.917388 1.000000
1
d 0.466379 1.000000
1
d 1.132171 1.000000
1
f 1.649608 1.000000
1
f 0.793185 1.000000
1
g 1.606813 1.000000


elt: He
data:
Element Symbol: He
Basis-namevdz: vdz
HF-Energy: -2.861932
CCSD(T)-Energy: -2.878934
9
s 0.077786 0.012425
s 0.161528 0.128251
s 0.335425 0.282221
s 0.696535 0.292427
s 1.446408 0.215025
s 3.003576 0.125450
s 6.237154 0.064912
s 12.951926 0.038892
s 26.895662 0.002531
1
s 0.321750 1.000000
8
p 0.228528 -0.000116
p 0.422019 2.116950
p 0.779333 -2.182954
p 1.439180 1.545850
p 2.657706 -0.879477
p 4.907934 0.469710
p 9.063386 -0.224631
p 16.737180 0.098422


elt: He
data:
Element Symbol: He
Basis-namevtz: vtz
HF-Energy: -2.861932
CCSD(T)-Energy: -2.898728
9
s 0.077786 0.012425
s 0.161528 0.128251
s 0.335425 0.282221
s 0.696535 0.292427
s 1.446408 0.215025
s 3.003576 0.125450
s 6.237154 0.064912
s 12.951926 0.038892
s 26.895662 0.002531
1
s 0.667868 1.000000
1
s 0.224485 1.000000
8
p 0.228528 -0.000116
p 0.422019 2.116950
p 0.779333 -2.182954
p 1.439180 1.545850
p 2.657706 -0.879477
p 4.907934 0.469710
p 9.063386 -0.224631
p 16.737180 0.098422
1
p 1.492028 1.000000
1
d 1.913792 1.000000


elt: He
data:
Element Symbol: He
Basis-namevqz: vqz
HF-Energy: -2.861932
CCSD(T)-Energy: -2.902207
9
s 0.077786 0.012425
s 0.161528 0.128251
s 0.335425 0.282221
s 0.696535 0.292427
s 1.446408 0.215025
s 3.003576 0.125450
s 6.237154 0.064912
s 12.951926 0.038892
s 26.895662 0.002531
1
s 0.937228 1.000000
1
s 1.223567 1.000000
1
s 0.229163 1.000000
8
p 0.228528 -0.000116
p 0.422019 2.116950
p 0.779333 -2.182954
p 1.439180 1.545850
p 2.657706 -0.879477
p 4.907934 0.469710
p 9.063386 -0.224631
p 16.737180 0.098422
1
p 3.888767 1.000000
1
p 1.015492 1.000000
1
d 0.939402 1.000000
1
d 3.054371 1.000000
1
f 1.021427 1.000000


elt: He
data:
Element Symbol: He
Basis-namev5z: v5z
HF-Energy: -2.861932
CCSD(T)-Energy: -2.902789
9
s 0.077786 0.012425
s 0.161528 0.128251
s 0.335425 0.282221
s 0.696535 0.292427
s 1.446408 0.215025
s 3.003576 0.125450
s 6.237154 0.064912
s 12.951926 0.038892
s 26.895662 0.002531
1
s 1.324312 1.000000
1
s 0.876976 1.000000
1
s 0.294075 1.000000
1
s 0.116506 1.000000
8
p 0.228528 -0.000116
p 0.422019 2.116950
p 0.779333 -2.182954
p 1.439180 1.545850
p 2.657706 -0.879477
p 4.907934 0.469710
p 9.063386 -0.224631
p 16.737180 0.098422
1
p 6.741009 1.000000
1
p 2.647340 1.000000
1
p 0.893850 1.000000
1
d 1.842278 1.000000
1
d 2.175208 1.000000
1
d 4.285515 1.000000
1
f 0.749734 1.000000
1
f 1.632074 1.000000
1
g 0.623669 1.000000


elt: Li
data:
Element Symbol: Li
Basis-namevdz: vdz
HF-Energy: -0.195611
CCSD(T)-Energy: -0.195611
9
s 0.010125 0.007841
s 0.023437 0.258118
s 0.054251 0.423307
s 0.125581 0.167825
s 0.290697 -0.068332
s 0.672909 -0.119269
s 1.557659 0.007736
s 3.605689 0.003630
s 8.346494 -0.000646
1
s 0.103721 1.000000
9
p 0.018300 -0.005906
p 0.031699 -0.031422
p 0.054908 -0.043628
p 0.095111 -0.016781
p 0.164751 -0.078594
p 0.285379 0.015562
p 0.494330 -0.030830
p 0.856273 0.006185
p 1.483225 -0.008621
1
p 0.070391 1.000000
1
d 0.110720 1.000000


elt: Li
data:
Element Symbol: Li
Basis-namevtz: vtz
HF-Energy: -0.196093
CCSD(T)-Energy: -0.196093
9
s 0.010125 0.007841
s 0.023437 0.258118
s 0.054251 0.423307
s 0.125581 0.167825
s 0.290697 -0.068332
s 0.672909 -0.119269
s 1.557659 0.007736
s 3.605689 0.003630
s 8.346494 -0.000646
1
s 0.026170 1.000000
1
s 0.132259 1.000000
9
p 0.018300 -0.005906
p 0.031699 -0.031422
p 0.054908 -0.043628
p 0.095111 -0.016781
p 0.164751 -0.078594
p 0.285379 0.015562
p 0.494330 -0.030830
p 0.856273 0.006185
p 1.483225 -0.008621
1
p 0.052959 1.000000
1
p 0.110075 1.000000
1
d 0.067795 1.000000
1
d 0.177140 1.000000
1
f 0.180758 1.000000


elt: Li
data:
Element Symbol: Li
Basis-namevqz: vqz
HF-Energy: -0.196307
CCSD(T)-Energy: -0.196307
9
s 0.010125 0.007841
s 0.023437 0.258118
s 0.054251 0.423307
s 0.125581 0.167825
s 0.290697 -0.068332
s 0.672909 -0.119269
s 1.557659 0.007736
s 3.605689 0.003630
s 8.346494 -0.000646
1
s 0.024834 1.000000
1
s 0.109770 1.000000
1
s 0.519693 1.000000
9
p 0.018300 -0.005906
p 0.031699 -0.031422
p 0.054908 -0.043628
p 0.095111 -0.016781
p 0.164751 -0.078594
p 0.285379 0.015562
p 0.494330 -0.030830
p 0.856273 0.006185
p 1.483225 -0.008621
1
p 0.070662 1.000000
1
p 0.115823 1.000000
1
p 0.207505 1.000000
1
d 0.029817 1.000000
1
d 0.089353 1.000000
1
d 0.214990 1.000000
1
f 0.099930 1.000000
1
f 0.240323 1.000000
1
g 0.199570 1.000000


elt: Li
data:
Element Symbol: Li
Basis-namev5z: v5z
HF-Energy: -0.196315
CCSD(T)-Energy: -0.196315
9
s 0.010125 0.007841
s 0.023437 0.258118
s 0.054251 0.423307
s 0.125581 0.167825
s 0.290697 -0.068332
s 0.672909 -0.119269
s 1.557659 0.007736
s 3.605689 0.003630
s 8.346494 -0.000646
1
s 0.025010 1.000000
1
s 0.104917 1.000000
1
s 0.670681 1.000000
1
s 1.004881 1.000000
9
p 0.018300 -0.005906
p 0.031699 -0.031422
p 0.054908 -0.043628
p 0.095111 -0.016781
p 0.164751 -0.078594
p 0.285379 0.015562
p 0.494330 -0.030830
p 0.856273 0.006185
p 1.483225 -0.008621
1
p 0.081041 1.000000
1
p 0.138470 1.000000
1
p 0.404355 1.000000
1
p 0.806184 1.000000
1
d 0.065574 1.000000
1
d 0.835758 1.000000
1
d 0.161784 1.000000
1
d 0.986350 1.000000
1
f 0.152988 1.000000
1
f 0.420698 1.000000
1
f 0.856748 1.000000
1
g 0.254479 1.000000
1
g 0.457496 1.000000


elt: Be
data:
Element Symbol: Be
Basis-namevdz: vdz
HF-Energy: -0.956838
CCSD(T)-Energy: -1.000525
9
s 0.030068 0.025105
s 0.054002 0.178890
s 0.096986 0.263939
s 0.174186 0.435946
s 0.312836 -0.008188
s 0.561850 0.049509
s 1.009077 -0.114576
s 1.812290 -0.067207
s 3.254852 0.017250
1
s 0.239392 1.000000
9
p 0.015064 0.735052
p 0.028584 -0.476214
p 0.054236 0.564806
p 0.102911 -0.108575
p 0.195269 0.233862
p 0.370513 -0.009003
p 0.703030 0.067510
p 1.333967 -0.002868
p 2.531139 0.017869
1
p 0.222969 1.000000
1
d 0.217340 1.000000


elt: Be
data:
Element Symbol: Be
Basis-namevtz: vtz
HF-Energy: -0.961729
CCSD(T)-Energy: -1.008436
9
s 0.030068 0.025105
s 0.054002 0.178890
s 0.096986 0.263939
s 0.174186 0.435946
s 0.312836 -0.008188
s 0.561850 0.049509
s 1.009077 -0.114576
s 1.812290 -0.067207
s 3.254852 0.017250
1
s 0.060913 1.000000
1
s 0.357735 1.000000
9
p 0.015064 0.735052
p 0.028584 -0.476214
p 0.054236 0.564806
p 0.102911 -0.108575
p 0.195269 0.233862
p 0.370513 -0.009003
p 0.703030 0.067510
p 1.333967 -0.002868
p 2.531139 0.017869
1
p 0.728274 1.000000
1
p 0.165173 1.000000
1
d 0.113241 1.000000
1
d 0.305198 1.000000
1
f 0.272841 1.000000


elt: Be
data:
Element Symbol: Be
Basis-namevqz: vqz
HF-Energy: -0.961844
CCSD(T)-Energy: -1.009630
9
s 0.030068 0.025105
s 0.054002 0.178890
s 0.096986 0.263939
s 0.174186 0.435946
s 0.312836 -0.008188
s 0.561850 0.049509
s 1.009077 -0.114576
s 1.812290 -0.067207
s 3.254852 0.017250
1
s 0.012287 1.000000
1
s 0.175341 1.000000
1
s 1.244398 1.000000
9
p 0.015064 0.735052
p 0.028584 -0.476214
p 0.054236 0.564806
p 0.102911 -0.108575
p 0.195269 0.233862
p 0.370513 -0.009003
p 0.703030 0.067510
p 1.333967 -0.002868
p 2.531139 0.017869
1
p 0.317061 1.000000
1
p 1.585739 1.000000
1
p 0.108346 1.000000
1
d 0.125228 1.000000
1
d 0.801065 1.000000
1
d 0.301656 1.000000
1
f 0.153439 1.000000
1
f 0.377536 1.000000
1
g 0.338801 1.000000


elt: Be
data:
Element Symbol: Be
Basis-namev5z: v5z
HF-Energy: -0.961942
CCSD(T)-Energy: -1.009970
9
s 0.030068 0.025105
s 0.054002 0.178890
s 0.096986 0.263939
s 0.174186 0.435946
s 0.312836 -0.008188
s 0.561850 0.049509
s 1.009077 -0.114576
s 1.812290 -0.067207
s 3.254852 0.017250
1
s 0.012778 1.000000
1
s 0.108807 1.000000
1
s 0.216157 1.000000
1
s 1.207279 1.000000
9
p 0.015064 0.735052
p 0.028584 -0.476214
p 0.054236 0.564806
p 0.102911 -0.108575
p 0.195269 0.233862
p 0.370513 -0.009003
p 0.703030 0.067510
p 1.333967 -0.002868
p 2.531139 0.017869
1
p 0.072561 1.000000
1
p 0.501715 1.000000
1
p 0.184471 1.000000
1
p 2.128672 1.000000
1
d 0.090175 1.000000
1
d 0.743653 1.000000
1
d 0.238494 1.000000
1
d 0.933001 1.000000
1
f 0.129140 1.000000
1
f 0.299150 1.000000
1
f 0.739023 1.000000
1
g 0.316080 1.000000
1
g 0.863442 1.000000
1
h 0.409080 1.000000


elt: B
data:
Element Symbol: B
Basis-namevdz: vdz
HF-Energy: -2.543713
CCSD(T)-Energy: -2.608984
9
s 0.040569 0.032031
s 0.081044 0.243317
s 0.161898 0.434636
s 0.323418 0.329581
s 0.646080 0.111875
s 1.290648 -0.078699
s 2.578276 -0.098781
s 5.150520 0.016164
s 10.288990 -0.000016
1
s 0.082513 1.000000
9
p 0.029207 0.019909
p 0.058408 0.141775
p 0.116803 0.294463
p 0.233582 0.309028
p 0.467115 0.236378
p 0.934132 0.131317
p 1.868068 0.066454
p 3.735743 0.021248
p 7.470701 0.002837
1
p 0.086803 1.000000
1
d 0.349879 1.000000


elt: B
data:
Element Symbol: B
Basis-namevtz: vtz
HF-Energy: -2.543736
CCSD(T)-Energy: -2.617159
9
s 0.040569 0.032031
s 0.081044 0.243317
s 0.161898 0.434636
s 0.323418 0.329581
s 0.646080 0.111875
s 1.290648 -0.078699
s 2.578276 -0.098781
s 5.150520 0.016164
s 10.288990 -0.000016
1
s 0.626026 1.000000
1
s 0.092094 1.000000
9
p 0.029207 0.019909
p 0.058408 0.141775
p 0.116803 0.294463
p 0.233582 0.309028
p 0.467115 0.236378
p 0.934132 0.131317
p 1.868068 0.066454
p 3.735743 0.021248
p 7.470701 0.002837
1
p 0.082056 1.000000
1
p 0.235016 1.000000
1
d 0.207316 1.000000
1
d 0.699153 1.000000
1
f 0.478872 1.000000


elt: B
data:
Element Symbol: B
Basis-namevqz: vqz
HF-Energy: -2.543755
CCSD(T)-Energy: -2.618972
9
s 0.040569 0.032031
s 0.081044 0.243317
s 0.161898 0.434636
s 0.323418 0.329581
s 0.646080 0.111875
s 1.290648 -0.078699
s 2.578276 -0.098781
s 5.150520 0.016164
s 10.288990 -0.000016
1
s 0.082968 1.000000
1
s 0.305133 1.000000
1
s 0.422217 1.000000
9
p 0.029207 0.019909
p 0.058408 0.141775
p 0.116803 0.294463
p 0.233582 0.309028
p 0.467115 0.236378
p 0.934132 0.131317
p 1.868068 0.066454
p 3.735743 0.021248
p 7.470701 0.002837
1
p 0.066445 1.000000
1
p 0.196614 1.000000
1
p 0.447031 1.000000
1
d 0.149100 1.000000
1
d 0.410733 1.000000
1
d 1.142614 1.000000
1
f 0.315902 1.000000
1
f 0.870011 1.000000
1
g 0.710746 1.000000


elt: B
data:
Element Symbol: B
Basis-namev5z: v5z
HF-Energy: -2.543756
CCSD(T)-Energy: -2.619409
9
s 0.040569 0.032031
s 0.081044 0.243317
s 0.161898 0.434636
s 0.323418 0.329581
s 0.646080 0.111875
s 1.290648 -0.078699
s 2.578276 -0.098781
s 5.150520 0.016164
s 10.288990 -0.000016
1
s 0.070664 1.000000
1
s 0.170896 1.000000
1
s 0.375720 1.000000
1
s 0.614105 1.000000
9
p 0.029207 0.019909
p 0.058408 0.141775
p 0.116803 0.294463
p 0.233582 0.309028
p 0.467115 0.236378
p 0.934132 0.131317
p 1.868068 0.066454
p 3.735743 0.021248
p 7.470701 0.002837
1
p 0.057917 1.000000
1
p 0.143772 1.000000
1
p 0.436327 1.000000
1
p 0.566611 1.000000
1
d 0.134838 1.000000
1
d 0.380163 1.000000
1
d 0.808233 1.000000
1
d 1.022256 1.000000
1
f 0.272717 1.000000
1
f 0.799174 1.000000
1
f 1.002171 1.000000
1
g 0.486131 1.000000
1
g 0.824366 1.000000
1
h 0.632779 1.000000


elt: C
data:
Element Symbol: C
Basis-namevdz: vdz
HF-Energy: -5.328990
CCSD(T)-Energy: -5.409230
9
s 0.051344 0.013991
s 0.102619 0.169852
s 0.205100 0.397529
s 0.409924 0.380369
s 0.819297 0.180113
s 1.637494 -0.033512
s 3.272791 -0.121499
s 6.541187 0.015176
s 13.073594 -0.000705
1
s 0.127852 1.000000
9
p 0.029281 0.001787
p 0.058547 0.050426
p 0.117063 0.191634
p 0.234064 0.302667
p 0.468003 0.289868
p 0.935757 0.210979
p 1.871016 0.112024
p 3.741035 0.054425
p 7.480076 0.021931
1
p 0.149161 1.000000
1
d 0.561161 1.000000


elt: C
data:
Element Symbol: C
Basis-namevtz: vtz
HF-Energy: -5.329011
CCSD(T)-Energy: -5.427351
9
s 0.051344 0.013991
s 0.102619 0.169852
s 0.205100 0.397529
s 0.409924 0.380369
s 0.819297 0.180113
s 1.637494 -0.033512
s 3.272791 -0.121499
s 6.541187 0.015176
s 13.073594 -0.000705
1
s 0.921552 1.000000
1
s 0.132800 1.000000
9
p 0.029281 0.001787
p 0.058547 0.050426
p 0.117063 0.191634
p 0.234064 0.302667
p 0.468003 0.289868
p 0.935757 0.210979
p 1.871016 0.112024
p 3.741035 0.054425
p 7.480076 0.021931
1
p 0.126772 1.000000
1
p 0.376742 1.000000
1
d 0.329486 1.000000
1
d 1.141611 1.000000
1
f 0.773485 1.000000


elt: C
data:
Element Symbol: C
Basis-namevqz: vqz
HF-Energy: -5.329029
CCSD(T)-Energy: -5.431486
9
s 0.051344 0.013991
s 0.102619 0.169852
s 0.205100 0.397529
s 0.409924 0.380369
s 0.819297 0.180113
s 1.637494 -0.033512
s 3.272791 -0.121499
s 6.541187 0.015176
s 13.073594 -0.000705
1
s 0.109576 1.000000
1
s 0.846879 1.000000
1
s 0.269659 1.000000
9
p 0.029281 0.001787
p 0.058547 0.050426
p 0.117063 0.191634
p 0.234064 0.302667
p 0.468003 0.289868
p 0.935757 0.210979
p 1.871016 0.112024
p 3.741035 0.054425
p 7.480076 0.021931
1
p 0.105389 1.000000
1
p 0.313254 1.000000
1
p 0.804681 1.000000
1
d 0.240171 1.000000
1
d 0.684884 1.000000
1
d 2.013760 1.000000
1
f 0.457302 1.000000
1
f 1.324930 1.000000
1
g 1.034180 1.000000


elt: C
data:
Element Symbol: C
Basis-namev5z: v5z
HF-Energy: -5.329030
CCSD(T)-Energy: -5.432494
9
s 0.051344 0.013991
s 0.102619 0.169852
s 0.205100 0.397529
s 0.409924 0.380369
s 0.819297 0.180113
s 1.637494 -0.033512
s 3.272791 -0.121499
s 6.541187 0.015176
s 13.073594 -0.000705
1
s 0.098302 1.000000
1
s 0.232034 1.000000
1
s 0.744448 1.000000
1
s 1.009914 1.000000
9
p 0.029281 0.001787
p 0.058547 0.050426
p 0.117063 0.191634
p 0.234064 0.302667
p 0.468003 0.289868
p 0.935757 0.210979
p 1.871016 0.112024
p 3.741035 0.054425
p 7.480076 0.021931
1
p 0.084047 1.000000
1
p 0.216618 1.000000
1
p 0.576869 1.000000
1
p 1.006252 1.000000
1
d 0.206619 1.000000
1
d 0.606933 1.000000
1
d 1.001526 1.000000
1
d 1.504882 1.000000
1
f 0.400573 1.000000
1
f 1.099564 1.000000
1
f 1.501091 1.000000
1
g 0.797648 1.000000
1
g 1.401343 1.000000
1
h 1.001703 1.000000


elt: N
data:
Element Symbol: N
Basis-namevdz: vdz
HF-Energy: -9.668376
CCSD(T)-Energy: -9.760290
9
s 0.098869 0.067266
s 0.211443 0.334290
s 0.452197 0.454257
s 0.967080 0.267861
s 2.068221 0.000248
s 4.423150 -0.132606
s 9.459462 0.014437
s 20.230246 0.000359
s 43.264919 -0.000094
1
s 0.175123 1.000000
9
p 0.073234 0.035758
p 0.145867 0.153945
p 0.290535 0.277656
p 0.578683 0.297676
p 1.152612 0.234403
p 2.295756 0.140321
p 4.572652 0.067219
p 9.107739 0.031594
p 18.140657 0.003301
1
p 0.223042 1.000000
1
d 0.832058 1.000000


elt: N
data:
Element Symbol: N
Basis-namevtz: vtz
HF-Energy: -9.668376
CCSD(T)-Energy: -9.790402
9
s 0.098869 0.067266
s 0.211443 0.334290
s 0.452197 0.454257
s 0.967080 0.267861
s 2.068221 0.000248
s 4.423150 -0.132606
s 9.459462 0.014437
s 20.230246 0.000359
s 43.264919 -0.000094
1
s 1.202183 1.000000
1
s 0.163243 1.000000
9
p 0.073234 0.035758
p 0.145867 0.153945
p 0.290535 0.277656
p 0.578683 0.297676
p 1.152612 0.234403
p 2.295756 0.140321
p 4.572652 0.067219
p 9.107739 0.031594
p 18.140657 0.003301
1
p 0.170104 1.000000
1
p 0.517547 1.000000
1
d 0.483567 1.000000
1
d 1.712416 1.000000
1
f 1.093097 1.000000


elt: N
data:
Element Symbol: N
Basis-namevqz: vqz
HF-Energy: -9.668376
CCSD(T)-Energy: -9.797800
9
s 0.098869 0.067266
s 0.211443 0.334290
s 0.452197 0.454257
s 0.967080 0.267861
s 2.068221 0.000248
s 4.423150 -0.132606
s 9.459462 0.014437
s 20.230246 0.000359
s 43.264919 -0.000094
1
s 0.135764 1.000000
1
s 0.310826 1.000000
1
s 1.625001 1.000000
9
p 0.073234 0.035758
p 0.145867 0.153945
p 0.290535 0.277656
p 0.578683 0.297676
p 1.152612 0.234403
p 2.295756 0.140321
p 4.572652 0.067219
p 9.107739 0.031594
p 18.140657 0.003301
1
p 0.140736 1.000000
1
p 0.413103 1.000000
1
p 1.020750 1.000000
1
d 0.346233 1.000000
1
d 1.009895 1.000000
1
d 3.028459 1.000000
1
f 0.691129 1.000000
1
f 2.024747 1.000000
1
g 1.357512 1.000000


elt: N
data:
Element Symbol: N
Basis-namev5z: v5z
HF-Energy: -9.668376
CCSD(T)-Energy: -9.799731
9
s 0.098869 0.067266
s 0.211443 0.334290
s 0.452197 0.454257
s 0.967080 0.267861
s 2.068221 0.000248
s 4.423150 -0.132606
s 9.459462 0.014437
s 20.230246 0.000359
s 43.264919 -0.000094
1
s 0.115320 1.000000
1
s 0.286632 1.000000
1
s 0.702011 1.000000
1
s 1.532221 1.000000
9
p 0.073234 0.035758
p 0.145867 0.153945
p 0.290535 0.277656
p 0.578683 0.297676
p 1.152612 0.234403
p 2.295756 0.140321
p 4.572652 0.067219
p 9.107739 0.031594
p 18.140657 0.003301
1
p 0.120601 1.000000
1
p 0.322697 1.000000
1
p 0.978538 1.000000
1
p 1.272759 1.000000
1
d 0.305579 1.000000
1
d 0.891436 1.000000
1
d 1.542532 1.000000
1
d 2.798122 1.000000
1
f 0.587676 1.000000
1
f 1.592967 1.000000
1
f 2.443045 1.000000
1
g 1.038637 1.000000
1
g 2.842018 1.000000
1
h 2.272542 1.000000


elt: O
data:
Element Symbol: O
Basis-namevdz: vdz
HF-Energy: -15.705942
CCSD(T)-Energy: -15.829790
9
s 0.125346 0.055741
s 0.268022 0.304848
s 0.573098 0.453752
s 1.225429 0.295926
s 2.620277 0.019567
s 5.602818 -0.128627
s 11.980245 0.012024
s 25.616801 0.000407
s 54.775216 -0.000076
1
s 0.258551 1.000000
9
p 0.083598 0.044958
p 0.167017 0.150175
p 0.333673 0.255999
p 0.666627 0.281879
p 1.331816 0.242835
p 2.660761 0.161134
p 5.315785 0.082308
p 10.620108 0.039899
p 21.217318 0.004679
1
p 0.267865 1.000000
1
d 1.232753 1.000000


elt: O
data:
Element Symbol: O
Basis-namevtz: vtz
HF-Energy: -15.708001
CCSD(T)-Energy: -15.882045
9
s 0.125346 0.055741
s 0.268022 0.304848
s 0.573098 0.453752
s 1.225429 0.295926
s 2.620277 0.019567
s 5.602818 -0.128627
s 11.980245 0.012024
s 25.616801 0.000407
s 54.775216 -0.000076
1
s 1.686633 1.000000
1
s 0.237997 1.000000
9
p 0.083598 0.044958
p 0.167017 0.150175
p 0.333673 0.255999
p 0.666627 0.281879
p 1.331816 0.242835
p 2.660761 0.161134
p 5.315785 0.082308
p 10.620108 0.039899
p 21.217318 0.004679
1
p 0.184696 1.000000
1
p 0.600621 1.000000
1
d 0.669340 1.000000
1
d 2.404278 1.000000
1
f 1.423104 1.000000


elt: O
data:
Element Symbol: O
Basis-namevqz: vqz
HF-Energy: -15.708382
CCSD(T)-Energy: -15.897021
9
s 0.125346 0.055741
s 0.268022 0.304848
s 0.573098 0.453752
s 1.225429 0.295926
s 2.620277 0.019567
s 5.602818 -0.128627
s 11.980245 0.012024
s 25.616801 0.000407
s 54.775216 -0.000076
1
s 0.224380 1.000000
1
s 0.843157 1.000000
1
s 1.351771 1.000000
9
p 0.083598 0.044958
p 0.167017 0.150175
p 0.333673 0.255999
p 0.666627 0.281879
p 1.331816 0.242835
p 2.660761 0.161134
p 5.315785 0.082308
p 10.620108 0.039899
p 21.217318 0.004679
1
p 0.148562 1.000000
1
p 0.452364 1.000000
1
p 1.106737 1.000000
1
d 0.455711 1.000000
1
d 1.344331 1.000000
1
d 4.008867 1.000000
1
f 0.876289 1.000000
1
f 2.763115 1.000000
1
g 1.759081 1.000000


elt: O
data:
Element Symbol: O
Basis-namev5z: v5z
HF-Energy: -15.708447
CCSD(T)-Energy: -15.901660
9
s 0.125346 0.055741
s 0.268022 0.304848
s 0.573098 0.453752
s 1.225429 0.295926
s 2.620277 0.019567
s 5.602818 -0.128627
s 11.980245 0.012024
s 25.616801 0.000407
s 54.775216 -0.000076
1
s 0.160664 1.000000
1
s 0.384526 1.000000
1
s 0.935157 1.000000
1
s 1.937532 1.000000
9
p 0.083598 0.044958
p 0.167017 0.150175
p 0.333673 0.255999
p 0.666627 0.281879
p 1.331816 0.242835
p 2.660761 0.161134
p 5.315785 0.082308
p 10.620108 0.039899
p 21.217318 0.004679
1
p 0.130580 1.000000
1
p 0.372674 1.000000
1
p 1.178227 1.000000
1
p 1.589967 1.000000
1
d 0.401152 1.000000
1
d 1.174596 1.000000
1
d 2.823972 1.000000
1
d 4.292433 1.000000
1
f 0.708666 1.000000
1
f 2.006788 1.000000
1
f 3.223721 1.000000
1
g 1.207657 1.000000
1
g 3.584495 1.000000
1
h 2.615818 1.000000


elt: F
data:
Element Symbol: F
Basis-namevdz: vdz
HF-Energy: -23.937019
CCSD(T)-Energy: -24.092506
9
s 0.172723 0.070240
s 0.364875 0.311088
s 0.770795 0.444675
s 1.628295 0.287011
s 3.439757 0.018759
s 7.266451 -0.128608
s 15.350300 0.009104
s 32.427348 0.000810
s 68.502433 -0.000133
1
s 0.344569 1.000000
9
p 0.101001 0.035321
p 0.204414 0.136924
p 0.413707 0.249353
p 0.837289 0.286620
p 1.694565 0.254541
p 3.429580 0.169572
p 6.941026 0.088542
p 14.047737 0.039843
p 28.430799 0.003378
1
p 0.364831 1.000000
1
d 1.722479 1.000000


elt: F
data:
Element Symbol: F
Basis-namevtz: vtz
HF-Energy: -23.938224
CCSD(T)-Energy: -24.163204
9
s 0.172723 0.070240
s 0.364875 0.311088
s 0.770795 0.444675
s 1.628295 0.287011
s 3.439757 0.018759
s 7.266451 -0.128608
s 15.350300 0.009104
s 32.427348 0.000810
s 68.502433 -0.000133
1
s 2.289795 1.000000
1
s 0.327712 1.000000
9
p 0.101001 0.035321
p 0.204414 0.136924
p 0.413707 0.249353
p 0.837289 0.286620
p 1.694565 0.254541
p 3.429580 0.169572
p 6.941026 0.088542
p 14.047737 0.039843
p 28.430799 0.003378
1
p 0.243660 1.000000
1
p 0.804181 1.000000
1
d 0.900763 1.000000
1
d 3.297425 1.000000
1
f 1.859274 1.000000


elt: F
data:
Element Symbol: F
Basis-namevqz: vqz
HF-Energy: -23.938443
CCSD(T)-Energy: -24.185741
9
s 0.172723 0.070240
s 0.364875 0.311088
s 0.770795 0.444675
s 1.628295 0.287011
s 3.439757 0.018759
s 7.266451 -0.128608
s 15.350300 0.009104
s 32.427348 0.000810
s 68.502433 -0.000133
1
s 0.294345 1.000000
1
s 1.048012 1.000000
1
s 1.705653 1.000000
9
p 0.101001 0.035321
p 0.204414 0.136924
p 0.413707 0.249353
p 0.837289 0.286620
p 1.694565 0.254541
p 3.429580 0.169572
p 6.941026 0.088542
p 14.047737 0.039843
p 28.430799 0.003378
1
p 0.205805 1.000000
1
p 0.647240 1.000000
1
p 1.650688 1.000000
1
d 0.587354 1.000000
1
d 1.724392 1.000000
1
d 4.998085 1.000000
1
f 1.178147 1.000000
1
f 3.694285 1.000000
1
g 2.406583 1.000000


elt: F
data:
Element Symbol: F
Basis-namev5z: v5z
HF-Energy: -23.938492
CCSD(T)-Energy: -24.192900
9
s 0.172723 0.070240
s 0.364875 0.311088
s 0.770795 0.444675
s 1.628295 0.287011
s 3.439757 0.018759
s 7.266451 -0.128608
s 15.350300 0.009104
s 32.427348 0.000810
s 68.502433 -0.000133
1
s 0.191146 1.000000
1
s 0.459697 1.000000
1
s 1.250265 1.000000
1
s 2.542428 1.000000
9
p 0.101001 0.035321
p 0.204414 0.136924
p 0.413707 0.249353
p 0.837289 0.286620
p 1.694565 0.254541
p 3.429580 0.169572
p 6.941026 0.088542
p 14.047737 0.039843
p 28.430799 0.003378
1
p 0.170574 1.000000
1
p 0.489019 1.000000
1
p 1.505085 1.000000
1
p 2.018698 1.000000
1
d 0.517711 1.000000
1
d 1.523306 1.000000
1
d 3.901897 1.000000
1
d 5.603581 1.000000
1
f 0.981494 1.000000
1
f 2.950321 1.000000
1
f 4.297889 1.000000
1
g 1.638933 1.000000
1
g 4.619953 1.000000
1
h 2.963127 1.000000


elt: Ne
data:
Element Symbol: Ne
Basis-namevdz: vdz
HF-Energy: -34.709059
CCSD(T)-Energy: -34.900305
9
s 0.205835 0.057514
s 0.391384 0.215776
s 0.744196 0.374799
s 1.415048 0.326313
s 2.690638 0.166383
s 5.116103 -0.039149
s 9.727994 -0.085909
s 18.497256 0.006816
s 35.171534 0.000206
1
s 0.455383 1.000000
9
p 0.121772 0.029943
p 0.238248 0.114200
p 0.466136 0.219618
p 0.912002 0.268864
p 1.784344 0.256932
p 3.491095 0.191378
p 6.830378 0.112176
p 13.363732 0.063317
p 26.146332 0.008057
1
p 0.472224 1.000000
1
d 2.371533 1.000000


elt: Ne
data:
Element Symbol: Ne
Basis-namevtz: vtz
HF-Energy: -34.709059
CCSD(T)-Energy: -34.976232
9
s 0.205835 0.057514
s 0.391384 0.215776
s 0.744196 0.374799
s 1.415048 0.326313
s 2.690638 0.166383
s 5.116103 -0.039149
s 9.727994 -0.085909
s 18.497256 0.006816
s 35.171534 0.000206
1
s 0.317767 1.000000
1
s 0.534557 1.000000
9
p 0.121772 0.029943
p 0.238248 0.114200
p 0.466136 0.219618
p 0.912002 0.268864
p 1.784344 0.256932
p 3.491095 0.191378
p 6.830378 0.112176
p 13.363732 0.063317
p 26.146332 0.008057
1
p 0.294665 1.000000
1
p 0.962126 1.000000
1
d 1.134063 1.000000
1
d 4.161437 1.000000
1
f 2.556751 1.000000


elt: Ne
data:
Element Symbol: Ne
Basis-namevqz: vqz
HF-Energy: -34.709059
CCSD(T)-Energy: -35.017566
9
s 0.205835 0.057514
s 0.391384 0.215776
s 0.744196 0.374799
s 1.415048 0.326313
s 2.690638 0.166383
s 5.116103 -0.039149
s 9.727994 -0.085909
s 18.497256 0.006816
s 35.171534 0.000206
1
s 0.399186 1.000000
1
s 1.658402 1.000000
1
s 2.261159 1.000000
9
p 0.121772 0.029943
p 0.238248 0.114200
p 0.466136 0.219618
p 0.912002 0.268864
p 1.784344 0.256932
p 3.491095 0.191378
p 6.830378 0.112176
p 13.363732 0.063317
p 26.146332 0.008057
1
p 0.245215 1.000000
1
p 0.757342 1.000000
1
p 1.938376 1.000000
1
d 0.738131 1.000000
1
d 2.188751 1.000000
1
d 6.170224 1.000000
1
f 1.589986 1.000000
1
f 4.849402 1.000000
1
g 3.228793 1.000000


elt: Ne
data:
Element Symbol: Ne
Basis-namev5z: v5z
HF-Energy: -34.709059
CCSD(T)-Energy: -35.027534
9
s 0.205835 0.057514
s 0.391384 0.215776
s 0.744196 0.374799
s 1.415048 0.326313
s 2.690638 0.166383
s 5.116103 -0.039149
s 9.727994 -0.085909
s 18.497256 0.006816
s 35.171534 0.000206
1
s 0.318678 1.000000
1
s 0.830178 1.000000
1
s 1.591904 1.000000
1
s 2.744999 1.000000
9
p 0.121772 0.029943
p 0.238248 0.114200
p 0.466136 0.219618
p 0.912002 0.268864
p 1.784344 0.256932
p 3.491095 0.191378
p 6.830378 0.112176
p 13.363732 0.063317
p 26.146332 0.008057
1
p 0.218226 1.000000
1
p 0.636921 1.000000
1
p 1.888191 1.000000
1
p 3.020108 1.000000
1
d 0.654924 1.000000
1
d 1.931502 1.000000
1
d 5.027566 1.000000
1
d 6.989700 1.000000
1
f 1.314297 1.000000
1
f 4.065928 1.000000
1
f 5.587487 1.000000
1
g 2.070925 1.000000
1
g 6.073107 1.000000
1
h 3.743118 1.000000


elt: Na
data:
Element Symbol: Na
Basis-namevdz: vdz
HF-Energy: -0.174227
CCSD(T)-Energy: -0.174227
9
s 0.013061 0.200118
s 0.030041 0.467652
s 0.069092 0.227738
s 0.158908 -0.061581
s 0.365481 -0.137533
s 0.840589 0.003323
s 1.933315 0.003741
s 4.446533 -0.001117
s 10.226816 0.000244
1
s 0.865135 1.000000
9
p 0.002593 -0.002840
p 0.006741 0.005340
p 0.017525 -0.025936
p 0.045563 -0.053466
p 0.118461 -0.053691
p 0.307987 0.014439
p 0.800738 0.006199
p 2.081847 -0.001026
p 5.412617 0.000168
1
p 0.106025 1.000000
1
d 0.050790 1.000000


elt: Na
data:
Element Symbol: Na
Basis-namevtz: vtz
HF-Energy: -0.181799
CCSD(T)-Energy: -0.181799
9
s 0.013061 0.200118
s 0.030041 0.467652
s 0.069092 0.227738
s 0.158908 -0.061581
s 0.365481 -0.137533
s 0.840589 0.003323
s 1.933315 0.003741
s 4.446533 -0.001117
s 10.226816 0.000244
1
s 0.067854 1.000000
1
s 0.550451 1.000000
9
p 0.002593 -0.002840
p 0.006741 0.005340
p 0.017525 -0.025936
p 0.045563 -0.053466
p 0.118461 -0.053691
p 0.307987 0.014439
p 0.800738 0.006199
p 2.081847 -0.001026
p 5.412617 0.000168
1
p 0.089406 1.000000
1
p 0.619273 1.000000
1
d 0.086920 1.000000
1
d 0.693014 1.000000
1
f 0.132402 1.000000


elt: Na
data:
Element Symbol: Na
Basis-namevqz: vqz
HF-Energy: -0.181980
CCSD(T)-Energy: -0.181980
9
s 0.013061 0.200118
s 0.030041 0.467652
s 0.069092 0.227738
s 0.158908 -0.061581
s 0.365481 -0.137533
s 0.840589 0.003323
s 1.933315 0.003741
s 4.446533 -0.001117
s 10.226816 0.000244
1
s 0.064915 1.000000
1
s 1.134458 1.000000
1
s 0.771046 1.000000
9
p 0.002593 -0.002840
p 0.006741 0.005340
p 0.017525 -0.025936
p 0.045563 -0.053466
p 0.118461 -0.053691
p 0.307987 0.014439
p 0.800738 0.006199
p 2.081847 -0.001026
p 5.412617 0.000168
1
p 0.059662 1.000000
1
p 0.096714 1.000000
1
p 0.552976 1.000000
1
d 0.046917 1.000000
1
d 0.813868 1.000000
1
d 0.127780 1.000000
1
f 0.129992 1.000000
1
f 0.626429 1.000000
1
g 0.588778 1.000000


elt: Na
data:
Element Symbol: Na
Basis-namev5z: v5z
HF-Energy: -0.182034
CCSD(T)-Energy: -0.182034
9
s 0.013061 0.200118
s 0.030041 0.467652
s 0.069092 0.227738
s 0.158908 -0.061581
s 0.365481 -0.137533
s 0.840589 0.003323
s 1.933315 0.003741
s 4.446533 -0.001117
s 10.226816 0.000244
1
s 0.063999 1.000000
1
s 0.414207 1.000000
1
s 0.848058 1.000000
1
s 1.097178 1.000000
9
p 0.002593 -0.002840
p 0.006741 0.005340
p 0.017525 -0.025936
p 0.045563 -0.053466
p 0.118461 -0.053691
p 0.307987 0.014439
p 0.800738 0.006199
p 2.081847 -0.001026
p 5.412617 0.000168
1
p 0.062027 1.000000
1
p 0.098643 1.000000
1
p 0.404379 1.000000
1
p 0.845826 1.000000
1
d 0.058125 1.000000
1
d 0.824577 1.000000
1
d 0.131674 1.000000
1
d 0.979694 1.000000
1
f 0.112793 1.000000
1
f 0.429471 1.000000
1
f 0.848460 1.000000
1
g 0.285680 1.000000
1
g 0.467702 1.000000


elt: Mg
data:
Element Symbol: Mg
Basis-namevdz: vdz
HF-Energy: -0.784324
CCSD(T)-Energy: -0.816857
9
s 0.030975 0.165290
s 0.062959 0.506272
s 0.127970 0.333197
s 0.260111 0.057482
s 0.528700 -0.137614
s 1.074630 -0.135378
s 2.184285 0.048310
s 4.439759 -0.005312
s 9.024217 0.000465
1
s 0.162370 1.000000
9
p 0.047055 1.502038
p 0.083253 -1.433944
p 0.147298 1.318987
p 0.260611 -0.741124
p 0.461094 0.436300
p 0.815803 -0.243798
p 1.443383 0.086774
p 2.553745 -0.028677
p 4.518286 0.006085
1
p 0.121683 1.000000
1
d 0.135526 1.000000


elt: Mg
data:
Element Symbol: Mg
Basis-namevtz: vtz
HF-Energy: -0.784579
CCSD(T)-Energy: -0.819095
9
s 0.030975 0.165290
s 0.062959 0.506272
s 0.127970 0.333197
s 0.260111 0.057482
s 0.528700 -0.137614
s 1.074630 -0.135378
s 2.184285 0.048310
s 4.439759 -0.005312
s 9.024217 0.000465
1
s 0.153453 1.000000
1
s 0.673960 1.000000
9
p 0.047055 1.502038
p 0.083253 -1.433944
p 0.147298 1.318987
p 0.260611 -0.741124
p 0.461094 0.436300
p 0.815803 -0.243798
p 1.443383 0.086774
p 2.553745 -0.028677
p 4.518286 0.006085
1
p 0.126917 1.000000
1
p 1.118965 1.000000
1
d 0.095734 1.000000
1
d 0.274572 1.000000
1
f 0.148519 1.000000


elt: Mg
data:
Element Symbol: Mg
Basis-namevqz: vqz
HF-Energy: -0.784736
CCSD(T)-Energy: -0.819621
9
s 0.030975 0.165290
s 0.062959 0.506272
s 0.127970 0.333197
s 0.260111 0.057482
s 0.528700 -0.137614
s 1.074630 -0.135378
s 2.184285 0.048310
s 4.439759 -0.005312
s 9.024217 0.000465
1
s 0.023378 1.000000
1
s 0.188141 1.000000
1
s 0.616205 1.000000
9
p 0.047055 1.502038
p 0.083253 -1.433944
p 0.147298 1.318987
p 0.260611 -0.741124
p 0.461094 0.436300
p 0.815803 -0.243798
p 1.443383 0.086774
p 2.553745 -0.028677
p 4.518286 0.006085
1
p 0.089167 1.000000
1
p 0.209210 1.000000
1
p 0.846859 1.000000
1
d 0.095526 1.000000
1
d 0.734089 1.000000
1
d 0.233222 1.000000
1
f 0.127025 1.000000
1
f 0.304907 1.000000
1
g 0.192272 1.000000


elt: Mg
data:
Element Symbol: Mg
Basis-namev5z: v5z
HF-Energy: -0.784736
CCSD(T)-Energy: -0.819696
9
s 0.030975 0.165290
s 0.062959 0.506272
s 0.127970 0.333197
s 0.260111 0.057482
s 0.528700 -0.137614
s 1.074630 -0.135378
s 2.184285 0.048310
s 4.439759 -0.005312
s 9.024217 0.000465
1
s 0.023503 1.000000
1
s 0.061201 1.000000
1
s 0.764885 1.000000
1
s 1.054291 1.000000
9
p 0.047055 1.502038
p 0.083253 -1.433944
p 0.147298 1.318987
p 0.260611 -0.741124
p 0.461094 0.436300
p 0.815803 -0.243798
p 1.443383 0.086774
p 2.553745 -0.028677
p 4.518286 0.006085
1
p 0.082386 1.000000
1
p 0.177931 1.000000
1
p 0.385451 1.000000
1
p 0.833239 1.000000
1
d 0.102058 1.000000
1
d 0.815528 1.000000
1
d 0.222855 1.000000
1
d 0.973775 1.000000
1
f 0.141691 1.000000
1
f 0.425441 1.000000
1
f 0.847636 1.000000
1
g 0.171110 1.000000
1
g 0.438459 1.000000
1
h 0.360937 1.000000


elt: Al
data:
Element Symbol: Al
Basis-namevdz: vdz
HF-Energy: -1.878786
CCSD(T)-Energy: -1.929382
9
s 0.045518 0.206193
s 0.100308 0.559887
s 0.221051 0.407852
s 0.487132 -0.041098
s 1.073500 -0.238652
s 2.365686 0.038132
s 5.213294 -0.003935
s 11.488606 0.000470
s 25.317597 -0.000014
1
s 0.044024 1.000000
9
p 0.014848 0.009932
p 0.030967 0.160212
p 0.064586 0.389171
p 0.134700 0.373235
p 0.280932 0.195800
p 0.585913 0.022947
p 1.221985 -0.053293
p 2.548578 0.004846
p 5.315330 -0.000726
1
p 0.206631 1.000000
1
d 0.193079 1.000000


elt: Al
data:
Element Symbol: Al
Basis-namevtz: vtz
HF-Energy: -1.878829
CCSD(T)-Energy: -1.936503
9
s 0.045518 0.206193
s 0.100308 0.559887
s 0.221051 0.407852
s 0.487132 -0.041098
s 1.073500 -0.238652
s 2.365686 0.038132
s 5.213294 -0.003935
s 11.488606 0.000470
s 25.317597 -0.000014
1
s 0.064303 1.000000
1
s 0.371009 1.000000
9
p 0.014848 0.009932
p 0.030967 0.160212
p 0.064586 0.389171
p 0.134700 0.373235
p 0.280932 0.195800
p 0.585913 0.022947
p 1.221985 -0.053293
p 2.548578 0.004846
p 5.315330 -0.000726
1
p 0.035607 1.000000
1
p 0.090801 1.000000
1
d 0.115540 1.000000
1
d 0.359082 1.000000
1
f 0.254838 1.000000


elt: Al
data:
Element Symbol: Al
Basis-namevqz: vqz
HF-Energy: -1.878847
CCSD(T)-Energy: -1.937937
9
s 0.045518 0.206193
s 0.100308 0.559887
s 0.221051 0.407852
s 0.487132 -0.041098
s 1.073500 -0.238652
s 2.365686 0.038132
s 5.213294 -0.003935
s 11.488606 0.000470
s 25.317597 -0.000014
1
s 0.058688 1.000000
1
s 0.150215 1.000000
1
s 0.324193 1.000000
9
p 0.014848 0.009932
p 0.030967 0.160212
p 0.064586 0.389171
p 0.134700 0.373235
p 0.280932 0.195800
p 0.585913 0.022947
p 1.221985 -0.053293
p 2.548578 0.004846
p 5.315330 -0.000726
1
p 0.034866 1.000000
1
p 0.403929 1.000000
1
p 0.084117 1.000000
1
d 0.092392 1.000000
1
d 0.245212 1.000000
1
d 0.726318 1.000000
1
f 0.160909 1.000000
1
f 0.409285 1.000000
1
g 0.352027 1.000000


elt: Al
data:
Element Symbol: Al
Basis-namev5z: v5z
HF-Energy: -1.878849
CCSD(T)-Energy: -1.938298
9
s 0.045518 0.206193
s 0.100308 0.559887
s 0.221051 0.407852
s 0.487132 -0.041098
s 1.073500 -0.238652
s 2.365686 0.038132
s 5.213294 -0.003935
s 11.488606 0.000470
s 25.317597 -0.000014
1
s 0.056415 1.000000
1
s 0.155063 1.000000
1
s 0.332041 1.000000
1
s 0.725343 1.000000
9
p 0.014848 0.009932
p 0.030967 0.160212
p 0.064586 0.389171
p 0.134700 0.373235
p 0.280932 0.195800
p 0.585913 0.022947
p 1.221985 -0.053293
p 2.548578 0.004846
p 5.315330 -0.000726
1
p 0.033949 1.000000
1
p 0.083154 1.000000
1
p 0.251360 1.000000
1
p 0.314422 1.000000
1
d 0.088652 1.000000
1
d 0.241216 1.000000
1
d 0.575129 1.000000
1
d 0.989127 1.000000
1
f 0.148598 1.000000
1
f 0.374850 1.000000
1
f 0.781006 1.000000
1
g 0.259548 1.000000
1
g 0.561381 1.000000
1
h 0.328731 1.000000


elt: Si
data:
Element Symbol: Si
Basis-namevdz: vdz
HF-Energy: -3.678618
CCSD(T)-Energy: -3.747344
9
s 0.059887 0.167492
s 0.130108 0.532550
s 0.282668 0.464290
s 0.614115 -0.002322
s 1.334205 -0.268234
s 2.898645 0.031921
s 6.297493 -0.000106
s 13.681707 -0.000145
s 29.724387 0.000067
1
s 0.059803 1.000000
9
p 0.036525 0.078761
p 0.076137 0.308331
p 0.158712 0.417773
p 0.330843 0.281676
p 0.689658 0.069876
p 1.437625 -0.056306
p 2.996797 0.000744
p 6.246966 -0.000259
p 13.022097 -0.000022
1
p 0.081570 1.000000
1
d 0.283626 1.000000


elt: Si
data:
Element Symbol: Si
Basis-namevtz: vtz
HF-Energy: -3.678653
CCSD(T)-Energy: -3.762543
9
s 0.059887 0.167492
s 0.130108 0.532550
s 0.282668 0.464290
s 0.614115 -0.002322
s 1.334205 -0.268234
s 2.898645 0.031921
s 6.297493 -0.000106
s 13.681707 -0.000145
s 29.724387 0.000067
1
s 0.090113 1.000000
1
s 0.507467 1.000000
9
p 0.036525 0.078761
p 0.076137 0.308331
p 0.158712 0.417773
p 0.330843 0.281676
p 0.689658 0.069876
p 1.437625 -0.056306
p 2.996797 0.000744
p 6.246966 -0.000259
p 13.022097 -0.000022
1
p 0.056148 1.000000
1
p 0.146758 1.000000
1
d 0.170395 1.000000
1
d 0.539756 1.000000
1
f 0.352999 1.000000


elt: Si
data:
Element Symbol: Si
Basis-namevqz: vqz
HF-Energy: -3.678670
CCSD(T)-Energy: -3.765849
9
s 0.059887 0.167492
s 0.130108 0.532550
s 0.282668 0.464290
s 0.614115 -0.002322
s 1.334205 -0.268234
s 2.898645 0.031921
s 6.297493 -0.000106
s 13.681707 -0.000145
s 29.724387 0.000067
1
s 0.079900 1.000000
1
s 0.206024 1.000000
1
s 0.435017 1.000000
9
p 0.036525 0.078761
p 0.076137 0.308331
p 0.158712 0.417773
p 0.330843 0.281676
p 0.689658 0.069876
p 1.437625 -0.056306
p 2.996797 0.000744
p 6.246966 -0.000259
p 13.022097 -0.000022
1
p 0.054575 1.000000
1
p 0.599112 1.000000
1
p 0.134681 1.000000
1
d 0.133118 1.000000
1
d 0.350967 1.000000
1
d 1.063961 1.000000
1
f 0.211319 1.000000
1
f 0.535932 1.000000
1
g 0.465365 1.000000


elt: Si
data:
Element Symbol: Si
Basis-namev5z: v5z
HF-Energy: -3.678671
CCSD(T)-Energy: -3.766704
9
s 0.059887 0.167492
s 0.130108 0.532550
s 0.282668 0.464290
s 0.614115 -0.002322
s 1.334205 -0.268234
s 2.898645 0.031921
s 6.297493 -0.000106
s 13.681707 -0.000145
s 29.724387 0.000067
1
s 0.075500 1.000000
1
s 0.196459 1.000000
1
s 0.424036 1.000000
1
s 0.920486 1.000000
9
p 0.036525 0.078761
p 0.076137 0.308331
p 0.158712 0.417773
p 0.330843 0.281676
p 0.689658 0.069876
p 1.437625 -0.056306
p 2.996797 0.000744
p 6.246966 -0.000259
p 13.022097 -0.000022
1
p 0.048136 1.000000
1
p 0.115813 1.000000
1
p 0.238594 1.000000
1
p 0.496918 1.000000
1
d 0.127945 1.000000
1
d 0.353096 1.000000
1
d 0.805426 1.000000
1
d 1.247695 1.000000
1
f 0.172876 1.000000
1
f 0.402208 1.000000
1
f 0.833081 1.000000
1
g 0.299885 1.000000
1
g 0.647054 1.000000
1
h 0.557542 1.000000


elt: P
data:
Element Symbol: P
Basis-namevdz: vdz
HF-Energy: -6.359075
CCSD(T)-Energy: -6.441694
9
s 0.074718 0.140225
s 0.160834 0.506746
s 0.346202 0.499893
s 0.745215 0.037301
s 1.604109 -0.284591
s 3.452917 0.024766
s 7.432561 0.001798
s 15.998924 -0.000314
s 34.438408 0.000088
1
s 0.077260 1.000000
9
p 0.050242 0.072095
p 0.102391 0.278735
p 0.208669 0.411034
p 0.425256 0.304724
p 0.866651 0.091727
p 1.766191 -0.057060
p 3.599410 -0.005103
p 7.335418 0.000328
p 14.949217 -0.000046
1
p 0.113433 1.000000
1
d 0.390944 1.000000


elt: P
data:
Element Symbol: P
Basis-namevtz: vtz
HF-Energy: -6.359075
CCSD(T)-Energy: -6.468391
9
s 0.074718 0.140225
s 0.160834 0.506746
s 0.346202 0.499893
s 0.745215 0.037301
s 1.604109 -0.284591
s 3.452917 0.024766
s 7.432561 0.001798
s 15.998924 -0.000314
s 34.438408 0.000088
1
s 0.115288 1.000000
1
s 0.646066 1.000000
9
p 0.050242 0.072095
p 0.102391 0.278735
p 0.208669 0.411034
p 0.425256 0.304724
p 0.866651 0.091727
p 1.766191 -0.057060
p 3.599410 -0.005103
p 7.335418 0.000328
p 14.949217 -0.000046
1
p 0.076568 1.000000
1
p 0.200301 1.000000
1
d 0.234543 1.000000
1
d 0.753299 1.000000
1
f 0.468762 1.000000


elt: P
data:
Element Symbol: P
Basis-namevqz: vqz
HF-Energy: -6.359075
CCSD(T)-Energy: -6.474649
9
s 0.074718 0.140225
s 0.160834 0.506746
s 0.346202 0.499893
s 0.745215 0.037301
s 1.604109 -0.284591
s 3.452917 0.024766
s 7.432561 0.001798
s 15.998924 -0.000314
s 34.438408 0.000088
1
s 0.098851 1.000000
1
s 0.255593 1.000000
1
s 0.546057 1.000000
9
p 0.050242 0.072095
p 0.102391 0.278735
p 0.208669 0.411034
p 0.425256 0.304724
p 0.866651 0.091727
p 1.766191 -0.057060
p 3.599410 -0.005103
p 7.335418 0.000328
p 14.949217 -0.000046
1
p 0.074522 1.000000
1
p 0.764539 1.000000
1
p 0.182211 1.000000
1
d 0.186505 1.000000
1
d 0.502400 1.000000
1
d 1.576445 1.000000
1
f 0.280702 1.000000
1
f 0.719161 1.000000
1
g 0.599144 1.000000


elt: P
data:
Element Symbol: P
Basis-namev5z: v5z
HF-Energy: -6.359075
CCSD(T)-Energy: -6.476249
9
s 0.074718 0.140225
s 0.160834 0.506746
s 0.346202 0.499893
s 0.745215 0.037301
s 1.604109 -0.284591
s 3.452917 0.024766
s 7.432561 0.001798
s 15.998924 -0.000314
s 34.438408 0.000088
1
s 0.082092 1.000000
1
s 0.195525 1.000000
1
s 0.434767 1.000000
1
s 1.027573 1.000000
9
p 0.050242 0.072095
p 0.102391 0.278735
p 0.208669 0.411034
p 0.425256 0.304724
p 0.866651 0.091727
p 1.766191 -0.057060
p 3.599410 -0.005103
p 7.335418 0.000328
p 14.949217 -0.000046
1
p 0.074159 1.000000
1
p 0.189382 1.000000
1
p 0.470798 1.000000
1
p 0.815677 1.000000
1
d 0.167800 1.000000
1
d 0.457307 1.000000
1
d 1.021650 1.000000
1
d 1.598720 1.000000
1
f 0.214751 1.000000
1
f 0.482380 1.000000
1
f 0.984966 1.000000
1
g 0.406484 1.000000
1
g 0.924507 1.000000
1
h 0.831913 1.000000


elt: S
data:
Element Symbol: S
Basis-namevdz: vdz
HF-Energy: -9.955307
CCSD(T)-Energy: -10.063831
9
s 0.095120 0.140074
s 0.202385 0.490942
s 0.430611 0.515297
s 0.916203 0.050320
s 1.949388 -0.298908
s 4.147674 0.019827
s 8.824926 0.007266
s 18.776623 -0.001602
s 39.950656 0.000271
1
s 0.098454 1.000000
9
p 0.057087 0.081938
p 0.115901 0.251826
p 0.235305 0.376344
p 0.477723 0.320902
p 0.969889 0.143779
p 1.969099 -0.045543
p 3.997726 -0.017191
p 8.116307 0.002580
p 16.477979 -0.000222
1
p 0.128926 1.000000
1
d 0.514135 1.000000


elt: S
data:
Element Symbol: S
Basis-namevtz: vtz
HF-Energy: -9.957145
CCSD(T)-Energy: -10.114756
9
s 0.095120 0.140074
s 0.202385 0.490942
s 0.430611 0.515297
s 0.916203 0.050320
s 1.949388 -0.298908
s 4.147674 0.019827
s 8.824926 0.007266
s 18.776623 -0.001602
s 39.950656 0.000271
1
s 0.146642 1.000000
1
s 0.792025 1.000000
9
p 0.057087 0.081938
p 0.115901 0.251826
p 0.235305 0.376344
p 0.477723 0.320902
p 0.969889 0.143779
p 1.969099 -0.045543
p 3.997726 -0.017191
p 8.116307 0.002580
p 16.477979 -0.000222
1
p 0.088694 1.000000
1
p 0.247967 1.000000
1
d 0.292889 1.000000
1
d 0.950659 1.000000
1
f 0.573218 1.000000


elt: S
data:
Element Symbol: S
Basis-namevqz: vqz
HF-Energy: -9.957360
CCSD(T)-Energy: -10.127207
9
s 0.095120 0.140074
s 0.202385 0.490942
s 0.430611 0.515297
s 0.916203 0.050320
s 1.949388 -0.298908
s 4.147674 0.019827
s 8.824926 0.007266
s 18.776623 -0.001602
s 39.950656 0.000271
1
s 0.123759 1.000000
1
s 0.315587 1.000000
1
s 0.651905 1.000000
9
p 0.057087 0.081938
p 0.115901 0.251826
p 0.235305 0.376344
p 0.477723 0.320902
p 0.969889 0.143779
p 1.969099 -0.045543
p 3.997726 -0.017191
p 8.116307 0.002580
p 16.477979 -0.000222
1
p 0.078717 1.000000
1
p 0.202707 1.000000
1
p 0.301333 1.000000
1
d 0.215701 1.000000
1
d 0.560638 1.000000
1
d 1.588204 1.000000
1
f 0.356554 1.000000
1
f 0.961826 1.000000
1
g 0.694803 1.000000


elt: S
data:
Element Symbol: S
Basis-namev5z: v5z
HF-Energy: -9.957418
CCSD(T)-Energy: -10.131970
9
s 0.095120 0.140074
s 0.202385 0.490942
s 0.430611 0.515297
s 0.916203 0.050320
s 1.949388 -0.298908
s 4.147674 0.019827
s 8.824926 0.007266
s 18.776623 -0.001602
s 39.950656 0.000271
1
s 0.113918 1.000000
1
s 0.282790 1.000000
1
s 0.626702 1.000000
1
s 1.338226 1.000000
9
p 0.057087 0.081938
p 0.115901 0.251826
p 0.235305 0.376344
p 0.477723 0.320902
p 0.969889 0.143779
p 1.969099 -0.045543
p 3.997726 -0.017191
p 8.116307 0.002580
p 16.477979 -0.000222
1
p 0.079101 1.000000
1
p 0.210632 1.000000
1
p 0.522537 1.000000
1
p 0.924454 1.000000
1
d 0.186546 1.000000
1
d 0.462328 1.000000
1
d 0.955579 1.000000
1
d 2.334308 1.000000
1
f 0.274343 1.000000
1
f 0.661568 1.000000
1
f 1.389533 1.000000
1
g 0.486698 1.000000
1
g 1.166495 1.000000
1
h 0.839494 1.000000


elt: Cl
data:
Element Symbol: Cl
Basis-namevdz: vdz
HF-Energy: -14.740423
CCSD(T)-Energy: -14.874246
9
s 0.119944 0.148917
s 0.257348 0.503616
s 0.552157 0.523995
s 1.184691 0.013612
s 2.541836 -0.328846
s 5.453681 0.056309
s 11.701243 -0.001301
s 25.105812 -0.000294
s 53.866226 0.000076
1
s 0.120667 1.000000
9
p 0.074374 0.084925
p 0.155084 0.270658
p 0.323378 0.396022
p 0.674303 0.324325
p 1.406043 0.100661
p 2.931855 -0.069802
p 6.113450 -0.000951
p 12.747651 0.001501
p 26.581165 -0.000249
1
p 0.168333 1.000000
1
d 0.651071 1.000000


elt: Cl
data:
Element Symbol: Cl
Basis-namevtz: vtz
HF-Energy: -14.741759
CCSD(T)-Energy: -14.945231
9
s 0.119944 0.148917
s 0.257348 0.503616
s 0.552157 0.523995
s 1.184691 0.013612
s 2.541836 -0.328846
s 5.453681 0.056309
s 11.701243 -0.001301
s 25.105812 -0.000294
s 53.866226 0.000076
1
s 0.185613 1.000000
1
s 0.991560 1.000000
9
p 0.074374 0.084925
p 0.155084 0.270658
p 0.323378 0.396022
p 0.674303 0.324325
p 1.406043 0.100661
p 2.931855 -0.069802
p 6.113450 -0.000951
p 12.747651 0.001501
p 26.581165 -0.000249
1
p 0.112268 1.000000
1
p 0.309583 1.000000
1
d 0.352357 1.000000
1
d 1.128796 1.000000
1
f 0.731999 1.000000


elt: Cl
data:
Element Symbol: Cl
Basis-namevqz: vqz
HF-Energy: -14.741946
CCSD(T)-Energy: -14.966388
9
s 0.119944 0.148917
s 0.257348 0.503616
s 0.552157 0.523995
s 1.184691 0.013612
s 2.541836 -0.328846
s 5.453681 0.056309
s 11.701243 -0.001301
s 25.105812 -0.000294
s 53.866226 0.000076
1
s 0.161594 1.000000
1
s 0.440111 1.000000
1
s 0.848928 1.000000
9
p 0.074374 0.084925
p 0.155084 0.270658
p 0.323378 0.396022
p 0.674303 0.324325
p 1.406043 0.100661
p 2.931855 -0.069802
p 6.113450 -0.000951
p 12.747651 0.001501
p 26.581165 -0.000249
1
p 0.111309 1.000000
1
p 1.286881 1.000000
1
p 0.289403 1.000000
1
d 0.253063 1.000000
1
d 0.642589 1.000000
1
d 1.654717 1.000000
1
f 0.448175 1.000000
1
f 1.189807 1.000000
1
g 0.848307 1.000000


elt: Cl
data:
Element Symbol: Cl
Basis-namev5z: v5z
HF-Energy: -14.741980
CCSD(T)-Energy: -14.972355
9
s 0.119944 0.148917
s 0.257348 0.503616
s 0.552157 0.523995
s 1.184691 0.013612
s 2.541836 -0.328846
s 5.453681 0.056309
s 11.701243 -0.001301
s 25.105812 -0.000294
s 53.866226 0.000076
1
s 0.152049 1.000000
1
s 0.639110 1.000000
1
s 0.801438 1.000000
1
s 1.671380 1.000000
9
p 0.074374 0.084925
p 0.155084 0.270658
p 0.323378 0.396022
p 0.674303 0.324325
p 1.406043 0.100661
p 2.931855 -0.069802
p 6.113450 -0.000951
p 12.747651 0.001501
p 26.581165 -0.000249
1
p 0.103926 1.000000
1
p 0.275582 1.000000
1
p 0.667436 1.000000
1
p 1.171614 1.000000
1
d 0.237419 1.000000
1
d 0.729517 1.000000
1
d 0.924049 1.000000
1
d 1.522182 1.000000
1
f 0.335123 1.000000
1
f 0.789116 1.000000
1
f 1.609975 1.000000
1
g 0.576133 1.000000
1
g 1.402971 1.000000
1
h 1.099609 1.000000


elt: Ar
data:
Element Symbol: Ar
Basis-namevdz: vdz
HF-Energy: -20.884139
CCSD(T)-Energy: -21.042077
9
s 0.147347 0.155473
s 0.312164 0.494617
s 0.661339 0.526705
s 1.401090 0.021986
s 2.968301 -0.338533
s 6.288539 0.056023
s 13.322677 -0.000115
s 28.224956 -0.000595
s 59.796402 0.000127
1
s 0.147526 1.000000
9
p 0.090580 0.079101
p 0.188085 0.260718
p 0.390548 0.395065
p 0.810953 0.334954
p 1.683902 0.107462
p 3.496535 -0.073657
p 7.260371 -0.001407
p 15.075781 0.001710
p 31.304069 -0.000275
1
p 0.211798 1.000000
1
d 0.810888 1.000000


elt: Ar
data:
Element Symbol: Ar
Basis-namevtz: vtz
HF-Energy: -20.884139
CCSD(T)-Energy: -21.131134
9
s 0.147347 0.155473
s 0.312164 0.494617
s 0.661339 0.526705
s 1.401090 0.021986
s 2.968301 -0.338533
s 6.288539 0.056023
s 13.322677 -0.000115
s 28.224956 -0.000595
s 59.796402 0.000127
1
s 0.228740 1.000000
1
s 1.191630 1.000000
9
p 0.090580 0.079101
p 0.188085 0.260718
p 0.390548 0.395065
p 0.810953 0.334954
p 1.683902 0.107462
p 3.496535 -0.073657
p 7.260371 -0.001407
p 15.075781 0.001710
p 31.304069 -0.000275
1
p 0.138338 1.000000
1
p 0.380189 1.000000
1
d 0.425779 1.000000
1
d 1.370859 1.000000
1
f 0.929931 1.000000


elt: Ar
data:
Element Symbol: Ar
Basis-namevqz: vqz
HF-Energy: -20.884139
CCSD(T)-Energy: -21.161250
9
s 0.147347 0.155473
s 0.312164 0.494617
s 0.661339 0.526705
s 1.401090 0.021986
s 2.968301 -0.338533
s 6.288539 0.056023
s 13.322677 -0.000115
s 28.224956 -0.000595
s 59.796402 0.000127
1
s 0.196024 1.000000
1
s 0.540061 1.000000
1
s 1.020348 1.000000
9
p 0.090580 0.079101
p 0.188085 0.260718
p 0.390548 0.395065
p 0.810953 0.334954
p 1.683902 0.107462
p 3.496535 -0.073657
p 7.260371 -0.001407
p 15.075781 0.001710
p 31.304069 -0.000275
1
p 0.140701 1.000000
1
p 1.604300 1.000000
1
p 0.367738 1.000000
1
d 0.304103 1.000000
1
d 0.760464 1.000000
1
d 1.900944 1.000000
1
f 0.583628 1.000000
1
f 1.480507 1.000000
1
g 1.030824 1.000000


elt: Ar
data:
Element Symbol: Ar
Basis-namev5z: v5z
HF-Energy: -20.884139
CCSD(T)-Energy: -21.170192
9
s 0.147347 0.155473
s 0.312164 0.494617
s 0.661339 0.526705
s 1.401090 0.021986
s 2.968301 -0.338533
s 6.288539 0.056023
s 13.322677 -0.000115
s 28.224956 -0.000595
s 59.796402 0.000127
1
s 0.189594 1.000000
1
s 0.778040 1.000000
1
s 0.971266 1.000000
1
s 1.979612 1.000000
9
p 0.090580 0.079101
p 0.188085 0.260718
p 0.390548 0.395065
p 0.810953 0.334954
p 1.683902 0.107462
p 3.496535 -0.073657
p 7.260371 -0.001407
p 15.075781 0.001710
p 31.304069 -0.000275
1
p 0.133916 1.000000
1
p 0.356186 1.000000
1
p 0.833562 1.000000
1
p 1.430927 1.000000
1
d 0.268113 1.000000
1
d 0.697753 1.000000
1
d 1.185366 1.000000
1
d 2.118102 1.000000
1
f 0.422461 1.000000
1
f 0.973776 1.000000
1
f 2.020616 1.000000
1
g 0.695217 1.000000
1
g 1.690111 1.000000
1
h 1.258944 1.000000


elt: K
data:
Element Symbol: K
Basis-namevdz: vdz
HF-Energy: -0.147527
CCSD(T)-Energy: -0.147527
9
s 0.017365 0.444154
s 0.039432 0.431906
s 0.089538 0.040955
s 0.203317 -0.178633
s 0.461676 -0.162292
s 1.048337 0.083942
s 2.380481 -0.013650
s 5.405407 0.001752
s 12.274172 -0.000216
1
s 0.134208 1.000000
9
p 0.015053 -0.022303
p 0.033214 -0.055106
p 0.073286 -0.050766
p 0.161705 0.022211
p 0.356799 0.029953
p 0.787270 -0.008213
p 1.737100 0.000160
p 3.832883 0.000253
p 8.457196 -0.000071
1
p 0.039934 1.000000
1
d 0.055562 1.000000


elt: K
data:
Element Symbol: K
Basis-namevtz: vtz
HF-Energy: -0.147624
CCSD(T)-Energy: -0.147624
9
s 0.017365 0.444154
s 0.039432 0.431906
s 0.089538 0.040955
s 0.203317 -0.178633
s 0.461676 -0.162292
s 1.048337 0.083942
s 2.380481 -0.013650
s 5.405407 0.001752
s 12.274172 -0.000216
1
s 0.057933 1.000000
1
s 0.171219 1.000000
9
p 0.015053 -0.022303
p 0.033214 -0.055106
p 0.073286 -0.050766
p 0.161705 0.022211
p 0.356799 0.029953
p 0.787270 -0.008213
p 1.737100 0.000160
p 3.832883 0.000253
p 8.457196 -0.000071
1
p 0.044643 1.000000
1
p 0.256200 1.000000
1
d 0.060330 1.000000
1
d 0.581732 1.000000
1
f 0.473119 1.000000


elt: Ca
data:
Element Symbol: Ca
Basis-namevdz: vdz
HF-Energy: -1.733603
CCSD(T)-Energy: -1.799647
9
s 0.019220 0.031083
s 0.044206 0.129599
s 0.101674 0.197919
s 0.233852 -0.075445
s 0.537862 -0.197849
s 1.237092 0.083244
s 2.845329 -0.012885
s 6.544301 0.001791
s 15.051990 -0.000245
1
s 0.124975 1.000000
9
p 0.008008 -0.005632
p 0.018417 0.031052
p 0.042355 0.094286
p 0.097408 0.163876
p 0.224018 -0.003961
p 0.515195 -0.111912
p 1.184839 0.031892
p 2.724878 -0.004517
p 6.266642 0.000588
1
p 0.126295 1.000000
1
d 0.607820 1.000000


elt: Ca
data:
Element Symbol: Ca
Basis-namevtz: vtz
HF-Energy: -1.738556
CCSD(T)-Energy: -1.808349
9
s 0.019220 0.031083
s 0.044206 0.129599
s 0.101674 0.197919
s 0.233852 -0.075445
s 0.537862 -0.197849
s 1.237092 0.083244
s 2.845329 -0.012885
s 6.544301 0.001791
s 15.051990 -0.000245
1
s 0.108753 1.000000
1
s 0.367753 1.000000
9
p 0.008008 -0.005632
p 0.018417 0.031052
p 0.042355 0.094286
p 0.097408 0.163876
p 0.224018 -0.003961
p 0.515195 -0.111912
p 1.184839 0.031892
p 2.724878 -0.004517
p 6.266642 0.000588
1
p 0.044555 1.000000
1
p 0.118007 1.000000
1
d 0.182720 1.000000
1
d 0.854471 1.000000
1
f 0.185370 1.000000


elt: Ga
data:
Element Symbol: Ga
Basis-namevdz: vdz
HF-Energy: -1.975237
CCSD(T)-Energy: -2.019073
9
s 0.054628 0.253171
s 0.123743 0.598295
s 0.280299 0.356909
s 0.634926 -0.056544
s 1.438218 -0.411266
s 3.257814 0.156079
s 7.379514 -0.025142
s 16.715879 0.004089
s 37.864367 -0.000622
1
s 0.031898 1.000000
9
p 0.029207 0.759400
p 0.064420 -0.022059
p 0.142086 0.368252
p 0.313389 0.051142
p 0.691221 0.036655
p 1.524577 -0.078589
p 3.362652 0.017781
p 7.416764 -0.002498
p 16.358632 0.000386
1
p 0.027155 1.000000
1
d 0.182311 1.000000


elt: Ga
data:
Element Symbol: Ga
Basis-namevtz: vtz
HF-Energy: -1.977538
CCSD(T)-Energy: -2.028322
9
s 0.054628 0.253171
s 0.123743 0.598295
s 0.280299 0.356909
s 0.634926 -0.056544
s 1.438218 -0.411266
s 3.257814 0.156079
s 7.379514 -0.025142
s 16.715879 0.004089
s 37.864367 -0.000622
1
s 0.069703 1.000000
1
s 0.341994 1.000000
9
p 0.029207 0.759400
p 0.064420 -0.022059
p 0.142086 0.368252
p 0.313389 0.051142
p 0.691221 0.036655
p 1.524577 -0.078589
p 3.362652 0.017781
p 7.416764 -0.002498
p 16.358632 0.000386
1
p 0.027309 1.000000
1
p 0.064029 1.000000
1
d 0.105092 1.000000
1
d 0.266379 1.000000
1
f 0.297554 1.000000


elt: Ge
data:
Element Symbol: Ge
Basis-namevdz: vdz
HF-Energy: -3.651512
CCSD(T)-Energy: -3.711099
9
s 0.066287 0.213230
s 0.150128 0.605570
s 0.340013 0.413442
s 0.770064 -0.106356
s 1.744049 -0.364579
s 3.949940 0.127448
s 8.945864 -0.017166
s 20.260687 0.002454
s 45.886614 -0.000355
1
s 0.043781 1.000000
9
p 0.036511 0.098680
p 0.080524 0.372290
p 0.177593 0.443836
p 0.391677 0.232585
p 0.863832 0.000058
p 1.905157 -0.108282
p 4.201772 0.021894
p 9.266892 -0.001911
p 20.437873 0.000181
1
p 0.074726 1.000000
1
d 0.234278 1.000000


elt: Ge
data:
Element Symbol: Ge
Basis-namevtz: vtz
HF-Energy: -3.651566
CCSD(T)-Energy: -3.722250
9
s 0.066287 0.213230
s 0.150128 0.605570
s 0.340013 0.413442
s 0.770064 -0.106356
s 1.744049 -0.364579
s 3.949940 0.127448
s 8.945864 -0.017166
s 20.260687 0.002454
s 45.886614 -0.000355
1
s 0.091049 1.000000
1
s 0.445676 1.000000
9
p 0.036511 0.098680
p 0.080524 0.372290
p 0.177593 0.443836
p 0.391677 0.232585
p 0.863832 0.000058
p 1.905157 -0.108282
p 4.201772 0.021894
p 9.266892 -0.001911
p 20.437873 0.000181
1
p 0.040412 1.000000
1
p 0.092450 1.000000
1
d 0.130147 1.000000
1
d 0.323826 1.000000
1
f 0.352814 1.000000


elt: As
data:
Element Symbol: As
Basis-namevdz: vdz
HF-Energy: -6.042213
CCSD(T)-Energy: -6.112605
9
s 0.079412 0.192043
s 0.178687 0.611682
s 0.402068 0.439261
s 0.904702 -0.110280
s 2.035691 -0.394179
s 4.580555 0.145632
s 10.306811 -0.021379
s 23.191593 0.003205
s 52.183937 -0.000469
1
s 0.051480 1.000000
9
p 0.050626 0.105058
p 0.108692 0.361819
p 0.233354 0.452107
p 0.500995 0.231243
p 1.075603 -0.009549
p 2.309248 -0.121767
p 4.957802 0.028648
p 10.644071 -0.002941
p 22.852115 0.000293
1
p 0.095623 1.000000
1
d 0.297652 1.000000


elt: As
data:
Element Symbol: As
Basis-namevtz: vtz
HF-Energy: -6.042212
CCSD(T)-Energy: -6.133416
9
s 0.079412 0.192043
s 0.178687 0.611682
s 0.402068 0.439261
s 0.904702 -0.110280
s 2.035691 -0.394179
s 4.580555 0.145632
s 10.306811 -0.021379
s 23.191593 0.003205
s 52.183937 -0.000469
1
s 0.113088 1.000000
1
s 0.540159 1.000000
9
p 0.050626 0.105058
p 0.108692 0.361819
p 0.233354 0.452107
p 0.500995 0.231243
p 1.075603 -0.009549
p 2.309248 -0.121767
p 4.957802 0.028648
p 10.644071 -0.002941
p 22.852115 0.000293
1
p 0.612326 1.000000
1
p 0.100851 1.000000
1
d 0.165790 1.000000
1
d 0.412063 1.000000
1
f 0.425290 1.000000


elt: Se
data:
Element Symbol: Se
Basis-namevdz: vdz
HF-Energy: -9.130646
CCSD(T)-Energy: -9.221187
9
s 0.096883 0.200965
s 0.217674 0.615093
s 0.489067 0.462636
s 1.098828 -0.204179
s 2.468828 -0.307584
s 5.546920 0.109895
s 12.462726 -0.012288
s 28.001040 0.001205
s 62.912258 -0.000132
1
s 0.062467 1.000000
9
p 0.056147 0.073504
p 0.122259 0.334692
p 0.266220 0.473323
p 0.579694 0.276571
p 1.262286 -0.032356
p 2.748631 -0.103709
p 5.985152 0.020181
p 13.032685 -0.001095
p 28.378708 0.000019
1
p 0.107381 1.000000
1
d 0.348649 1.000000


elt: Se
data:
Element Symbol: Se
Basis-namevtz: vtz
HF-Energy: -9.132375
CCSD(T)-Energy: -9.258881
9
s 0.096883 0.200965
s 0.217674 0.615093
s 0.489067 0.462636
s 1.098828 -0.204179
s 2.468828 -0.307584
s 5.546920 0.109895
s 12.462726 -0.012288
s 28.001040 0.001205
s 62.912258 -0.000132
1
s 0.130387 1.000000
1
s 0.584755 1.000000
9
p 0.056147 0.073504
p 0.122259 0.334692
p 0.266220 0.473323
p 0.579694 0.276571
p 1.262286 -0.032356
p 2.748631 -0.103709
p 5.985152 0.020181
p 13.032685 -0.001095
p 28.378708 0.000019
1
p 0.069683 1.000000
1
p 0.141231 1.000000
1
d 0.195235 1.000000
1
d 0.471051 1.000000
1
f 0.466246 1.000000


elt: Br
data:
Element Symbol: Br
Basis-namevdz: vdz
HF-Energy: -13.124612
CCSD(T)-Energy: -13.235352
9
s 0.114626 0.199832
s 0.253024 0.605806
s 0.558520 0.486414
s 1.232866 -0.208964
s 2.721403 -0.328448
s 6.007171 0.118471
s 13.260109 -0.013112
s 29.270100 0.001206
s 64.610234 -0.000121
1
s 0.074712 1.000000
9
p 0.067990 0.107992
p 0.145507 0.331860
p 0.311403 0.442871
p 0.666441 0.283256
p 1.426267 -0.026045
p 3.052389 -0.111323
p 6.532494 0.021712
p 13.980353 -0.001188
p 29.919703 0.000022
1
p 0.129654 1.000000
1
d 0.417296 1.000000


elt: Br
data:
Element Symbol: Br
Basis-namevtz: vtz
HF-Energy: -13.125979
CCSD(T)-Energy: -13.288432
9
s 0.114626 0.199832
s 0.253024 0.605806
s 0.558520 0.486414
s 1.232866 -0.208964
s 2.721403 -0.328448
s 6.007171 0.118471
s 13.260109 -0.013112
s 29.270100 0.001206
s 64.610234 -0.000121
1
s 0.154401 1.000000
1
s 0.660618 1.000000
9
p 0.067990 0.107992
p 0.145507 0.331860
p 0.311403 0.442871
p 0.666441 0.283256
p 1.426267 -0.026045
p 3.052389 -0.111323
p 6.532494 0.021712
p 13.980353 -0.001188
p 29.919703 0.000022
1
p 0.078655 1.000000
1
p 0.164043 1.000000
1
d 0.234980 1.000000
1
d 0.568017 1.000000
1
f 0.555711 1.000000


elt: Kr
data:
Element Symbol: Kr
Basis-namevdz: vdz
HF-Energy: -18.128728
CCSD(T)-Energy: -18.252979
9
s 0.129911 0.183453
s 0.282220 0.596016
s 0.613098 0.506410
s 1.331901 -0.150926
s 2.893437 -0.423611
s 6.285735 0.162644
s 13.655203 -0.023284
s 29.664719 0.003157
s 64.443973 -0.000422
1
s 0.634619 1.000000
9
p 0.079314 0.096705
p 0.167216 0.312567
p 0.352539 0.448237
p 0.743252 0.298640
p 1.566988 -0.003641
p 3.303659 -0.138798
p 6.965055 0.029989
p 14.684325 -0.002578
p 30.958748 0.000205
1
p 0.149902 1.000000
1
d 0.487932 1.000000


elt: Kr
data:
Element Symbol: Kr
Basis-namevtz: vtz
HF-Energy: -18.128728
CCSD(T)-Energy: -18.321380
9
s 0.129911 0.183453
s 0.282220 0.596016
s 0.613098 0.506410
s 1.331901 -0.150926
s 2.893437 -0.423611
s 6.285735 0.162644
s 13.655203 -0.023284
s 29.664719 0.003157
s 64.443973 -0.000422
1
s 0.179349 1.000000
1
s 0.755436 1.000000
9
p 0.079314 0.096705
p 0.167216 0.312567
p 0.352539 0.448237
p 0.743252 0.298640
p 1.566988 -0.003641
p 3.303659 -0.138798
p 6.965055 0.029989
p 14.684325 -0.002578
p 30.958748 0.000205
1
p 0.094685 1.000000
1
p 0.189991 1.000000
1
d 0.279731 1.000000
1
d 0.675347 1.000000
1
f 0.685639 1.000000


elt: Rb
data:
Element Symbol: Rb
Basis-namevdz: vdz
HF-Energy: -0.139568
CCSD(T)-Energy: -0.139568
9
s 0.015824 0.483651
s 0.036041 0.682975
s 0.082088 -0.024815
s 0.186966 -0.191050
s 0.425839 -0.214531
s 0.969902 0.147399
s 2.209071 -0.038358
s 5.031431 0.007363
s 11.459706 -0.001094
1
s 0.017125 1.000000
9
p 0.009962 0.130254
p 0.023857 0.223104
p 0.057128 -0.295955
p 0.136803 0.122174
p 0.327596 0.000501
p 0.784480 -0.005930
p 1.878563 0.001091
p 4.498517 -0.000097
p 10.772413 -0.000002
1
p 0.014140 1.000000
1
d 0.037953 1.000000


elt: Rb
data:
Element Symbol: Rb
Basis-namevtz: vtz
HF-Energy: -0.139568
CCSD(T)-Energy: -0.139568
9
s 0.015824 0.483651
s 0.036041 0.682975
s 0.082088 -0.024815
s 0.186966 -0.191050
s 0.425839 -0.214531
s 0.969902 0.147399
s 2.209071 -0.038358
s 5.031431 0.007363
s 11.459706 -0.001094
1
s 0.046223 1.000000
1
s 0.150890 1.000000
9
p 0.009962 0.130254
p 0.023857 0.223104
p 0.057128 -0.295955
p 0.136803 0.122174
p 0.327596 0.000501
p 0.784480 -0.005930
p 1.878563 0.001091
p 4.498517 -0.000097
p 10.772413 -0.000002
1
p 0.017975 1.000000
1
p 0.139593 1.000000
1
d 0.048316 1.000000
1
d 0.511469 1.000000
1
f 0.061541 1.000000


elt: Sr
data:
Element Symbol: Sr
Basis-namevdz: vdz
HF-Energy: -1.672139
CCSD(T)-Energy: -1.737614
9
s 0.019429 0.044654
s 0.043476 0.138301
s 0.097283 0.169624
s 0.217685 -0.093894
s 0.487102 -0.247613
s 1.089961 0.160101
s 2.438947 -0.043595
s 5.457499 0.008684
s 12.211949 -0.001296
1
s 0.091481 1.000000
9
p 0.027297 0.079015
p 0.055025 0.109563
p 0.110920 0.096798
p 0.223593 -0.047473
p 0.450721 -0.171028
p 0.908566 0.104848
p 1.831493 -0.029516
p 3.691937 0.006196
p 7.442231 -0.000955
1
p 0.098678 1.000000
1
d 0.433416 1.000000


elt: Sr
data:
Element Symbol: Sr
Basis-namevtz: vtz
HF-Energy: -1.675765
CCSD(T)-Energy: -1.745003
9
s 0.019429 0.044654
s 0.043476 0.138301
s 0.097283 0.169624
s 0.217685 -0.093894
s 0.487102 -0.247613
s 1.089961 0.160101
s 2.438947 -0.043595
s 5.457499 0.008684
s 12.211949 -0.001296
1
s 0.058772 1.000000
1
s 0.399132 1.000000
9
p 0.027297 0.079015
p 0.055025 0.109563
p 0.110920 0.096798
p 0.223593 -0.047473
p 0.450721 -0.171028
p 0.908566 0.104848
p 1.831493 -0.029516
p 3.691937 0.006196
p 7.442231 -0.000955
1
p 0.283264 1.000000
1
p 0.103874 1.000000
1
d 0.119806 1.000000
1
d 0.528269 1.000000
1
f 0.164546 1.000000


elt: In
data:
Element Symbol: In
Basis-namevdz: vdz
HF-Energy: -1.789168
CCSD(T)-Energy: -1.828073
9
s 0.048513 0.266560
s 0.104327 0.595345
s 0.224354 0.377654
s 0.482469 -0.036404
s 1.037542 -0.581005
s 2.231217 0.270265
s 4.798193 -0.053715
s 10.318430 0.008961
s 22.189605 -0.001283
1
s 0.024011 1.000000
9
p 0.024898 0.739358
p 0.052455 -0.048330
p 0.110513 0.414377
p 0.232832 0.046307
p 0.490534 0.047980
p 1.033468 -0.124316
p 2.177331 0.037471
p 4.587245 -0.006011
p 9.664500 0.000835
1
p 0.022887 1.000000
1
d 0.136213 1.000000


elt: In
data:
Element Symbol: In
Basis-namevtz: vtz
HF-Energy: -1.791298
CCSD(T)-Energy: -1.835936
9
s 0.048513 0.266560
s 0.104327 0.595345
s 0.224354 0.377654
s 0.482469 -0.036404
s 1.037542 -0.581005
s 2.231217 0.270265
s 4.798193 -0.053715
s 10.318430 0.008961
s 22.189605 -0.001283
1
s 0.061026 1.000000
1
s 0.254654 1.000000
9
p 0.024898 0.739358
p 0.052455 -0.048330
p 0.110513 0.414377
p 0.232832 0.046307
p 0.490534 0.047980
p 1.033468 -0.124316
p 2.177331 0.037471
p 4.587245 -0.006011
p 9.664500 0.000835
1
p 0.023836 1.000000
1
p 0.047183 1.000000
1
d 0.092239 1.000000
1
d 0.190116 1.000000
1
f 0.255751 1.000000


elt: Sn
data:
Element Symbol: Sn
Basis-namevdz: vdz
HF-Energy: -3.244277
CCSD(T)-Energy: -3.297181
9
s 0.059000 0.238882
s 0.124327 0.598806
s 0.261986 0.422531
s 0.552065 -0.035727
s 1.163330 -0.631790
s 2.451407 0.294297
s 5.165685 -0.057592
s 10.885303 0.009333
s 22.937872 -0.001298
1
s 0.031199 1.000000
9
p 0.030513 0.083958
p 0.063306 0.340660
p 0.131342 0.458257
p 0.272497 0.257950
p 0.565351 0.020922
p 1.172938 -0.189121
p 2.433504 0.054068
p 5.048810 -0.007013
p 10.474808 0.000749
1
p 0.058385 1.000000
1
d 0.170348 1.000000


elt: Sn
data:
Element Symbol: Sn
Basis-namevtz: vtz
HF-Energy: -3.244331
CCSD(T)-Energy: -3.308613
9
s 0.059000 0.238882
s 0.124327 0.598806
s 0.261986 0.422531
s 0.552065 -0.035727
s 1.163330 -0.631790
s 2.451407 0.294297
s 5.165685 -0.057592
s 10.885303 0.009333
s 22.937872 -0.001298
1
s 0.078210 1.000000
1
s 0.308424 1.000000
9
p 0.030513 0.083958
p 0.063306 0.340660
p 0.131342 0.458257
p 0.272497 0.257950
p 0.565351 0.020922
p 1.172938 -0.189121
p 2.433504 0.054068
p 5.048810 -0.007013
p 10.474808 0.000749
1
p 0.064892 1.000000
1
p 0.376619 1.000000
1
d 0.107845 1.000000
1
d 0.223450 1.000000
1
f 0.281256 1.000000


elt: Sb
data:
Element Symbol: Sb
Basis-namevdz: vdz
HF-Energy: -5.283212
CCSD(T)-Energy: -5.345312
9
s 0.069280 0.217459
s 0.143940 0.599932
s 0.299056 0.459407
s 0.621332 -0.042472
s 1.290905 -0.650362
s 2.682040 0.298333
s 5.572320 -0.056893
s 11.577290 0.009102
s 24.053472 -0.001255
1
s 0.037942 1.000000
9
p 0.040092 0.081712
p 0.080679 0.322605
p 0.162356 0.464722
p 0.326720 0.277088
p 0.657481 0.009090
p 1.323093 -0.194825
p 2.662550 0.054392
p 5.358030 -0.006455
p 10.782327 0.000629
1
p 0.073629 1.000000
1
d 0.210604 1.000000


elt: Sb
data:
Element Symbol: Sb
Basis-namevtz: vtz
HF-Energy: -5.283212
CCSD(T)-Energy: -5.364895
9
s 0.069280 0.217459
s 0.143940 0.599932
s 0.299056 0.459407
s 0.621332 -0.042472
s 1.290905 -0.650362
s 2.682040 0.298333
s 5.572320 -0.056893
s 11.577290 0.009102
s 24.053472 -0.001255
1
s 0.095057 1.000000
1
s 0.381961 1.000000
9
p 0.040092 0.081712
p 0.080679 0.322605
p 0.162356 0.464722
p 0.326720 0.277088
p 0.657481 0.009090
p 1.323093 -0.194825
p 2.662550 0.054392
p 5.358030 -0.006455
p 10.782327 0.000629
1
p 0.444761 1.000000
1
p 0.083227 1.000000
1
d 0.132431 1.000000
1
d 0.277357 1.000000
1
f 0.335242 1.000000


elt: Te
data:
Element Symbol: Te
Basis-namevdz: vdz
HF-Energy: -7.872220
CCSD(T)-Energy: -7.950924
9
s 0.075142 0.172506
s 0.157584 0.588177
s 0.330475 0.542659
s 0.693051 -0.103930
s 1.453424 -0.570963
s 3.048032 0.239627
s 6.392144 -0.037900
s 13.405211 0.005057
s 28.112581 -0.000643
1
s 0.045193 1.000000
9
p 0.044821 0.059581
p 0.089826 0.289200
p 0.180021 0.467423
p 0.360780 0.331776
p 0.723040 0.005406
p 1.449048 -0.191721
p 2.904042 0.045538
p 5.820001 -0.003600
p 11.663885 0.000205
1
p 0.080058 1.000000
1
d 0.238566 1.000000


elt: Te
data:
Element Symbol: Te
Basis-namevtz: vtz
HF-Energy: -7.873626
CCSD(T)-Energy: -7.988770
9
s 0.075142 0.172506
s 0.157584 0.588177
s 0.330475 0.542659
s 0.693051 -0.103930
s 1.453424 -0.570963
s 3.048032 0.239627
s 6.392144 -0.037900
s 13.405211 0.005057
s 28.112581 -0.000643
1
s 0.104759 1.000000
1
s 0.409341 1.000000
9
p 0.044821 0.059581
p 0.089826 0.289200
p 0.180021 0.467423
p 0.360780 0.331776
p 0.723040 0.005406
p 1.449048 -0.191721
p 2.904042 0.045538
p 5.820001 -0.003600
p 11.663885 0.000205
1
p 0.083068 1.000000
1
p 0.468540 1.000000
1
d 0.156856 1.000000
1
d 0.310218 1.000000
1
f 0.355218 1.000000


elt: I
data:
Element Symbol: I
Basis-namevdz: vdz
HF-Energy: -11.178777
CCSD(T)-Energy: -11.270900
9
s 0.093293 0.205902
s 0.193211 0.623144
s 0.400142 0.491788
s 0.828698 -0.113418
s 1.716243 -0.678442
s 3.554356 0.356660
s 7.361107 -0.078676
s 15.244927 0.013475
s 31.572396 -0.001859
1
s 0.047406 1.000000
9
p 0.056487 0.112792
p 0.113038 0.317009
p 0.226204 0.456514
p 0.452663 0.284746
p 0.905837 -0.012076
p 1.812697 -0.230182
p 3.627439 0.082214
p 7.258973 -0.012492
p 14.526139 0.001285
1
p 0.088978 1.000000
1
d 0.269408 1.000000


elt: I
data:
Element Symbol: I
Basis-namevtz: vtz
HF-Energy: -11.180081
CCSD(T)-Energy: -11.325501
9
s 0.093293 0.205902
s 0.193211 0.623144
s 0.400142 0.491788
s 0.828698 -0.113418
s 1.716243 -0.678442
s 3.554356 0.356660
s 7.361107 -0.078676
s 15.244927 0.013475
s 31.572396 -0.001859
1
s 0.130955 1.000000
1
s 0.352610 1.000000
9
p 0.056487 0.112792
p 0.113038 0.317009
p 0.226204 0.456514
p 0.452663 0.284746
p 0.905837 -0.012076
p 1.812697 -0.230182
p 3.627439 0.082214
p 7.258973 -0.012492
p 14.526139 0.001285
1
p 0.107932 1.000000
1
p 0.587427 1.000000
1
d 0.189832 1.000000
1
d 0.346633 1.000000
1
f 0.430486 1.000000


elt: Xe
data:
Element Symbol: Xe
Basis-namevdz: vdz
HF-Energy: -15.276046
CCSD(T)-Energy: -15.367146
9
s 0.102640 0.191464
s 0.213839 0.622770
s 0.445507 0.534309
s 0.928158 -0.198001
s 1.933703 -0.566409
s 4.028632 0.286498
s 8.393159 -0.056363
s 17.486112 0.008649
s 36.430159 -0.001133
1
s 0.476026 1.000000
9
p 0.064650 0.098971
p 0.128837 0.311502
p 0.256753 0.460882
p 0.511669 0.309078
p 1.019678 -0.040260
p 2.032062 -0.202851
p 4.049587 0.067000
p 8.070204 -0.008468
p 16.082675 0.000710
1
p 0.404825 1.000000
1
d 0.299432 1.000000


elt: Xe
data:
Element Symbol: Xe
Basis-namevtz: vtz
HF-Energy: -15.276046
CCSD(T)-Energy: -15.445559
9
s 0.102640 0.191464
s 0.213839 0.622770
s 0.445507 0.534309
s 0.928158 -0.198001
s 1.933703 -0.566409
s 4.028632 0.286498
s 8.393159 -0.056363
s 17.486112 0.008649
s 36.430159 -0.001133
1
s 0.141271 1.000000
1
s 0.525354 1.000000
9
p 0.064650 0.098971
p 0.128837 0.311502
p 0.256753 0.460882
p 0.511669 0.309078
p 1.019678 -0.040260
p 2.032062 -0.202851
p 4.049587 0.067000
p 8.070204 -0.008468
p 16.082675 0.000710
1
p 0.129211 1.000000
1
p 0.655418 1.000000
1
d 0.226214 1.000000
1
d 0.397375 1.000000
1
f 0.496836 1.000000


elt: Cs
data:
Element Symbol: Cs
Basis-namevdz: vdz
HF-Energy: -0.127674
CCSD(T)-Energy: -0.127674
9
s 0.011442 0.303329
s 0.025922 0.824883
s 0.058728 0.058011
s 0.133054 -0.209752
s 0.301446 -0.290149
s 0.682952 0.194247
s 1.547285 -0.052400
s 3.505507 0.010597
s 7.942027 -0.001633
1
s 0.031425 1.000000
9
p 0.008763 0.107173
p 0.019961 0.250585
p 0.045467 -0.348843
p 0.103563 0.160806
p 0.235895 -0.011956
p 0.537318 -0.001447
p 1.223896 -0.000973
p 2.787774 0.000658
p 6.349954 -0.000179
1
p 0.187114 1.000000
1
d 0.105800 1.000000


elt: Cs
data:
Element Symbol: Cs
Basis-namevtz: vtz
HF-Energy: -0.127674
CCSD(T)-Energy: -0.127674
9
s 0.011442 0.303329
s 0.025922 0.824883
s 0.058728 0.058011
s 0.133054 -0.209752
s 0.301446 -0.290149
s 0.682952 0.194247
s 1.547285 -0.052400
s 3.505507 0.010597
s 7.942027 -0.001633
1
s 0.030554 1.000000
1
s 0.113847 1.000000
9
p 0.008763 0.107173
p 0.019961 0.250585
p 0.045467 -0.348843
p 0.103563 0.160806
p 0.235895 -0.011956
p 0.537318 -0.001447
p 1.223896 -0.000973
p 2.787774 0.000658
p 6.349954 -0.000179
1
p 0.014390 1.000000
1
p 0.116111 1.000000
1
d 0.055589 1.000000
1
d 0.241832 1.000000
1
f 0.180414 1.000000


elt: Ba
data:
Element Symbol: Ba
Basis-namevdz: vdz
HF-Energy: -1.610170
CCSD(T)-Energy: -1.675304
9
s 0.026951 0.124528
s 0.061991 0.149294
s 0.142589 0.000545
s 0.327978 -0.296677
s 0.754402 0.159361
s 1.735248 -0.038868
s 3.991352 0.007982
s 9.180759 -0.001801
s 21.117236 0.000323
1
s 0.074407 1.000000
9
p 0.004072 0.001465
p 0.009364 -0.008152
p 0.021535 0.082879
p 0.049525 0.134238
p 0.113895 0.044910
p 0.261930 -0.204506
p 0.602371 0.071512
p 1.385297 -0.012600
p 3.185823 0.001672
1
p 0.082723 1.000000
1
d 0.290433 1.000000


elt: Ba
data:
Element Symbol: Ba
Basis-namevtz: vtz
HF-Energy: -1.614237
CCSD(T)-Energy: -1.682836
9
s 0.026951 0.124528
s 0.061991 0.149294
s 0.142589 0.000545
s 0.327978 -0.296677
s 0.754402 0.159361
s 1.735248 -0.038868
s 3.991352 0.007982
s 9.180759 -0.001801
s 21.117236 0.000323
1
s 0.046036 1.000000
1
s 0.358001 1.000000
9
p 0.004072 0.001465
p 0.009364 -0.008152
p 0.021535 0.082879
p 0.049525 0.134238
p 0.113895 0.044910
p 0.261930 -0.204506
p 0.602371 0.071512
p 1.385297 -0.012600
p 3.185823 0.001672
1
p 0.179177 1.000000
1
p 0.108351 1.000000
1
d 0.083501 1.000000
1
d 0.336189 1.000000
1
f 0.166563 1.000000


elt: Tl
data:
Element Symbol: Tl
Basis-namevdz: vdz
HF-Energy: -1.885092
CCSD(T)-Energy: -1.914322
9
s 0.062145 0.342000
s 0.123848 0.545081
s 0.246813 0.349532
s 0.491866 0.191962
s 0.980226 -1.133349
s 1.953465 0.667322
s 3.893007 -0.183402
s 7.758267 0.036089
s 15.461238 -0.005048
1
s 0.093384 1.000000
9
p 0.026802 0.849514
p 0.054580 -0.193930
p 0.111148 0.480000
p 0.226344 -0.014563
p 0.460933 0.099645
p 0.938656 -0.202294
p 1.911505 0.080577
p 3.892639 -0.016631
p 7.927075 0.002321
1
p 0.022400 1.000000
1
d 0.118701 1.000000


elt: Tl
data:
Element Symbol: Tl
Basis-namevtz: vtz
HF-Energy: -1.882960
CCSD(T)-Energy: -1.920596
9
s 0.062145 0.342000
s 0.123848 0.545081
s 0.246813 0.349532
s 0.491866 0.191962
s 0.980226 -1.133349
s 1.953465 0.667322
s 3.893007 -0.183402
s 7.758267 0.036089
s 15.461238 -0.005048
1
s 0.068675 1.000000
1
s 0.224321 1.000000
9
p 0.026802 0.849514
p 0.054580 -0.193930
p 0.111148 0.480000
p 0.226344 -0.014563
p 0.460933 0.099645
p 0.938656 -0.202294
p 1.911505 0.080577
p 3.892639 -0.016631
p 7.927075 0.002321
1
p 0.028046 1.000000
1
p 0.141424 1.000000
1
d 0.149051 1.000000
1
d 0.594749 1.000000
1
f 0.231618 1.000000


elt: Pb
data:
Element Symbol: Pb
Basis-namevdz: vdz
HF-Energy: -3.307080
CCSD(T)-Energy: -3.347796
9
s 0.073981 0.324264
s 0.147087 0.571155
s 0.292431 0.374051
s 0.581400 0.124749
s 1.155914 -1.112721
s 2.298139 0.681231
s 4.569061 -0.191716
s 9.084013 0.037806
s 18.060446 -0.005225
1
s 0.027053 1.000000
9
p 0.036515 0.171402
p 0.072248 0.355473
p 0.142946 0.438265
p 0.282828 0.182315
p 0.559594 0.038526
p 1.107191 -0.295227
p 2.190647 0.129708
p 4.334333 -0.025877
p 8.575748 0.003106
1
p 0.050333 1.000000
1
d 0.143903 1.000000


elt: Pb
data:
Element Symbol: Pb
Basis-namevtz: vtz
HF-Energy: -3.307077
CCSD(T)-Energy: -3.359866
9
s 0.073981 0.324264
s 0.147087 0.571155
s 0.292431 0.374051
s 0.581400 0.124749
s 1.155914 -1.112721
s 2.298139 0.681231
s 4.569061 -0.191716
s 9.084013 0.037806
s 18.060446 -0.005225
1
s 0.093738 1.000000
1
s 0.216294 1.000000
9
p 0.036515 0.171402
p 0.072248 0.355473
p 0.142946 0.438265
p 0.282828 0.182315
p 0.559594 0.038526
p 1.107191 -0.295227
p 2.190647 0.129708
p 4.334333 -0.025877
p 8.575748 0.003106
1
p 0.364049 1.000000
1
p 0.064386 1.000000
1
d 0.172323 1.000000
1
d 0.607293 1.000000
1
f 0.238404 1.000000


elt: Bi
data:
Element Symbol: Bi
Basis-namevdz: vdz
HF-Energy: -5.265446
CCSD(T)-Energy: -5.312492
9
s 0.082248 0.282386
s 0.164490 0.593494
s 0.328968 0.424216
s 0.657912 0.038472
s 1.315777 -0.999227
s 2.631462 0.598472
s 5.262739 -0.160394
s 10.525107 0.030465
s 21.049473 -0.004168
1
s 0.033232 1.000000
9
p 0.044793 0.143664
p 0.087289 0.347153
p 0.170104 0.460130
p 0.331490 0.210922
p 0.645988 0.005175
p 1.258866 -0.293261
p 2.453207 0.131047
p 4.780671 -0.025394
p 9.316301 0.002893
1
p 0.061071 1.000000
1
d 0.168534 1.000000


elt: Bi
data:
Element Symbol: Bi
Basis-namevtz: vtz
HF-Energy: -5.265442
CCSD(T)-Energy: -5.331111
9
s 0.082248 0.282386
s 0.164490 0.593494
s 0.328968 0.424216
s 0.657912 0.038472
s 1.315777 -0.999227
s 2.631462 0.598472
s 5.262739 -0.160394
s 10.525107 0.030465
s 21.049473 -0.004168
1
s 0.106821 1.000000
1
s 0.302685 1.000000
9
p 0.044793 0.143664
p 0.087289 0.347153
p 0.170104 0.460130
p 0.331490 0.210922
p 0.645988 0.005175
p 1.258866 -0.293261
p 2.453207 0.131047
p 4.780671 -0.025394
p 9.316301 0.002893
1
p 0.418167 1.000000
1
p 0.080749 1.000000
1
d 0.202607 1.000000
1
d 0.774412 1.000000
1
f 0.256449 1.000000


elt: Po
data:
Element Symbol: Po
Basis-namevdz: vdz
HF-Energy: -7.719173
CCSD(T)-Energy: -7.776804
9
s 0.088283 0.231892
s 0.178248 0.604604
s 0.359891 0.486838
s 0.726636 -0.020877
s 1.467111 -0.915693
s 2.962164 0.530287
s 5.980742 -0.134624
s 12.075388 0.024651
s 24.380753 -0.003353
1
s 0.037768 1.000000
9
p 0.044924 0.081132
p 0.089086 0.312154
p 0.176659 0.485758
p 0.350319 0.289954
p 0.694690 -0.005099
p 1.377585 -0.290284
p 2.731780 0.120724
p 5.417177 -0.021788
p 10.742374 0.002411
1
p 0.062466 1.000000
1
d 0.180317 1.000000


elt: Po
data:
Element Symbol: Po
Basis-namevtz: vtz
HF-Energy: -7.720131
CCSD(T)-Energy: -7.811554
9
s 0.088283 0.231892
s 0.178248 0.604604
s 0.359891 0.486838
s 0.726636 -0.020877
s 1.467111 -0.915693
s 2.962164 0.530287
s 5.980742 -0.134624
s 12.075388 0.024651
s 24.380753 -0.003353
1
s 0.121540 1.000000
1
s 0.294130 1.000000
9
p 0.044924 0.081132
p 0.089086 0.312154
p 0.176659 0.485758
p 0.350319 0.289954
p 0.694690 -0.005099
p 1.377585 -0.290284
p 2.731780 0.120724
p 5.417177 -0.021788
p 10.742374 0.002411
1
p 0.085474 1.000000
1
p 0.447719 1.000000
1
d 0.223321 1.000000
1
d 0.766801 1.000000
1
f 0.260178 1.000000


elt: At
data:
Element Symbol: At
Basis-namevdz: vdz
HF-Energy: -10.819016
CCSD(T)-Energy: -10.889430
9
s 0.100143 0.225290
s 0.199361 0.601541
s 0.396881 0.515609
s 0.790095 -0.010167
s 1.572891 -0.996102
s 3.131250 0.588717
s 6.233573 -0.152415
s 12.409558 0.028000
s 24.704472 -0.003759
1
s 0.042701 1.000000
9
p 0.053678 0.126224
p 0.104254 0.308300
p 0.202485 0.458455
p 0.393270 0.283998
p 0.763818 0.007241
p 1.483503 -0.319237
p 2.881292 0.136193
p 5.596107 -0.024849
p 10.868879 0.002680
1
p 0.074570 1.000000
1
d 0.204779 1.000000


elt: At
data:
Element Symbol: At
Basis-namevtz: vtz
HF-Energy: -10.820093
CCSD(T)-Energy: -10.936769
9
s 0.100143 0.225290
s 0.199361 0.601541
s 0.396881 0.515609
s 0.790095 -0.010167
s 1.572891 -0.996102
s 3.131250 0.588717
s 6.233573 -0.152415
s 12.409558 0.028000
s 24.704472 -0.003759
1
s 0.126317 1.000000
1
s 0.348625 1.000000
9
p 0.053678 0.126224
p 0.104254 0.308300
p 0.202485 0.458455
p 0.393270 0.283998
p 0.763818 0.007241
p 1.483503 -0.319237
p 2.881292 0.136193
p 5.596107 -0.024849
p 10.868879 0.002680
1
p 0.505772 1.000000
1
p 0.098494 1.000000
1
d 0.251072 1.000000
1
d 0.812390 1.000000
1
f 0.303469 1.000000


elt: Rn
data:
Element Symbol: Rn
Basis-namevdz: vdz
HF-Energy: -14.624183
CCSD(T)-Energy: -14.692789
9
s 0.107979 0.206817
s 0.216651 0.608890
s 0.434692 0.544015
s 0.872173 -0.082252
s 1.749941 -0.878709
s 3.511108 0.506465
s 7.044740 -0.124315
s 14.134673 0.021988
s 28.360021 -0.002930
1
s 0.459987 1.000000
9
p 0.061896 0.115991
p 0.119480 0.305963
p 0.230636 0.465939
p 0.445207 0.298902
p 0.859401 -0.018422
p 1.658936 -0.304231
p 3.202311 0.129646
p 6.181551 -0.022935
p 11.932499 0.002383
1
p 0.365679 1.000000
1
d 0.226604 1.000000


elt: Rn
data:
Element Symbol: Rn
Basis-namevtz: vtz
HF-Energy: -14.624183
CCSD(T)-Energy: -14.758992
9
s 0.107979 0.206817
s 0.216651 0.608890
s 0.434692 0.544015
s 0.872173 -0.082252
s 1.749941 -0.878709
s 3.511108 0.506465
s 7.044740 -0.124315
s 14.134673 0.021988
s 28.360021 -0.002930
1
s 0.139908 1.000000
1
s 0.407257 1.000000
9
p 0.061896 0.115991
p 0.119480 0.305963
p 0.230636 0.465939
p 0.445207 0.298902
p 0.859401 -0.018422
p 1.658936 -0.304231
p 3.202311 0.129646
p 6.181551 -0.022935
p 11.932499 0.002383
1
p 0.571486 1.000000
1
p 0.116353 1.000000
1
d 0.282444 1.000000
1
d 0.826899 1.000000
1
f 0.343560 1.000000


