WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivit
Stoichiometry	ClH2O(1+)
Symmetry	CS
Basis	6-311+G(2d,p)
RM062X Energy	-536.199796403 Hartree
Dipole Moment	3.9341 Debye
Server	batch (127090)
CPU time	24.9 sec

Rotational Constants

Partial Charges

Atom	Symbol	Charge
1	O	-0.107284
2	H	0.406690
3	H	0.406690
4	Cl	0.293904

Molecular Orbitals

Display Range		- / 74
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-103.00935 Hartree
2	-	2	-20.07304 Hartree
3	-	2	-10.14554 Hartree
4	-	2	-7.87526 Hartree
5	-	2	-7.86044 Hartree
6	-	2	-7.86007 Hartree
7	-	2	-1.57226 Hartree
8	-	2	-1.20682 Hartree
9	-	2	-1.02125 Hartree
10	-	2	-0.91169 Hartree
11	-	2	-0.84325 Hartree
12	-	2	-0.66895 Hartree
13	-	2	-0.65326 Hartree
14	-	0	-0.33834 Hartree
15	-	0	-0.20363 Hartree
16	-	0	-0.14701 Hartree
17	-	0	-0.10358 Hartree
18	-	0	-0.09150 Hartree
19	-	0	-0.06484 Hartree
20	-	0	-0.05912 Hartree
21	-	0	-0.03570 Hartree
22	-	0	-0.02023 Hartree
23	-	0	-0.01538 Hartree
24	-	0	0.06839 Hartree
25	-	0	0.16577 Hartree
26	-	0	0.21505 Hartree
27	-	0	0.23561 Hartree
28	-	0	0.25255 Hartree
29	-	0	0.25914 Hartree
30	-	0	0.28089 Hartree
31	-	0	0.28283 Hartree
32	-	0	0.29016 Hartree
33	-	0	0.30735 Hartree
34	-	0	0.41575 Hartree
35	-	0	0.65481 Hartree
36	-	0	0.71699 Hartree
37	-	0	0.73026 Hartree
38	-	0	0.80913 Hartree
39	-	0	0.91290 Hartree
40	-	0	1.03730 Hartree
41	-	0	1.13018 Hartree
42	-	0	1.33813 Hartree
43	-	0	1.34532 Hartree
44	-	0	1.41992 Hartree
45	-	0	1.59201 Hartree
46	-	0	1.72953 Hartree
47	-	0	1.73922 Hartree
48	-	0	1.93840 Hartree
49	-	0	2.04910 Hartree
50	-	0	2.05902 Hartree
51	-	0	2.09942 Hartree
52	-	0	2.10643 Hartree
53	-	0	2.18201 Hartree
54	-	0	2.21563 Hartree
55	-	0	2.21795 Hartree
56	-	0	2.25833 Hartree
57	-	0	2.31533 Hartree
58	-	0	2.43303 Hartree
59	-	0	2.62353 Hartree
60	-	0	2.62362 Hartree
61	-	0	4.68113 Hartree
62	-	0	5.01491 Hartree
63	-	0	5.48991 Hartree
64	-	0	6.45049 Hartree
65	-	0	6.49638 Hartree
66	-	0	6.51198 Hartree
67	-	0	6.70063 Hartree
68	-	0	6.71197 Hartree
69	-	0	9.54281 Hartree
70	-	0	25.60378 Hartree
71	-	0	25.64649 Hartree
72	-	0	26.34901 Hartree
73	-	0	49.58296 Hartree
74	-	0	215.60323 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	O	-0.65606
2	H	0.59139
3	H	0.59139
4	Cl	0.47328

Natural Atomic Orbitals

Display Range		- / 74
Orbital	Description	Occupancy	Energy	Actions
1	O1 Cor(1s)	1.999997648	-20.073006548 Hartree
2	O1 Val(2s)	1.702834353	-1.305084423 Hartree
3	O1 Ryd(3s)	0.000796782	0.519923593 Hartree
4	O1 Ryd(4s)	0.000399406	2.266377671 Hartree
5	O1 Ryd(5s)	0.000002701	47.858326450 Hartree
6	O1 Val(2p)	1.881954218	-0.804260158 Hartree
7	O1 Ryd(4p)	0.000411317	0.499405116 Hartree
8	O1 Ryd(3p)	0.000534228	0.960712742 Hartree
9	O1 Ryd(5p)	0.000003696	4.763267082 Hartree
10	O1 Val(2p)	1.463922883	-0.759595609 Hartree
11	O1 Ryd(4p)	0.000175085	0.586718270 Hartree
12	O1 Ryd(3p)	0.000472438	0.656719742 Hartree
13	O1 Ryd(5p)	0.000011953	4.710092094 Hartree
14	O1 Val(2p)	1.583079511	-0.779281560 Hartree
15	O1 Ryd(3p)	0.001540145	0.470526547 Hartree
16	O1 Ryd(4p)	0.000108494	0.831656010 Hartree
17	O1 Ryd(5p)	0.000005042	5.366271784 Hartree
18	O1 Ryd(3d)	0.003378374	1.247301467 Hartree
19	O1 Ryd(4d)	0.000001700	6.437986453 Hartree
20	O1 Ryd(3d)	0.006051571	1.601034840 Hartree
21	O1 Ryd(4d)	0.000009879	6.529371694 Hartree
22	O1 Ryd(3d)	0.001826495	1.384223933 Hartree
23	O1 Ryd(4d)	0.000003681	6.490320777 Hartree
24	O1 Ryd(3d)	0.006088575	1.317550279 Hartree
25	O1 Ryd(4d)	0.000013770	6.573199737 Hartree
26	O1 Ryd(3d)	0.002435047	1.450798204 Hartree
27	O1 Ryd(4d)	0.000001278	6.539268844 Hartree
28	H2 Val(1s)	0.406845839	-0.152043703 Hartree
29	H2 Ryd(2s)	0.000643703	1.326349332 Hartree
30	H2 Ryd(3s)	0.000188936	0.816811719 Hartree
31	H2 Ryd(2p)	0.000463673	1.685972015 Hartree
32	H2 Ryd(2p)	0.000178289	1.673866521 Hartree
33	H2 Ryd(2p)	0.000288451	2.117379696 Hartree
34	H3 Val(1s)	0.406845839	-0.152043703 Hartree
35	H3 Ryd(2s)	0.000643703	1.326349332 Hartree
36	H3 Ryd(3s)	0.000188936	0.816811719 Hartree
37	H3 Ryd(2p)	0.000463673	1.685972015 Hartree
38	H3 Ryd(2p)	0.000178289	1.673866521 Hartree
39	H3 Ryd(2p)	0.000288451	2.117379696 Hartree
40	Cl4 Cor(1s)	1.999999988	-102.896724373 Hartree
41	Cl4 Cor(2s)	1.999990684	-10.257930632 Hartree
42	Cl4 Val(3s)	1.942096110	-1.147218037 Hartree
43	Cl4 Ryd(4s)	0.001725642	1.047400768 Hartree
44	Cl4 Ryd(5s)	0.000060126	1.514219037 Hartree
45	Cl4 Ryd(6s)	0.000001288	18.145577981 Hartree
46	Cl4 Ryd(7s)	0.000000004	206.013624610 Hartree
47	Cl4 Cor(2p)	1.999997327	-7.860022344 Hartree
48	Cl4 Val(3p)	1.995195952	-0.668039038 Hartree
49	Cl4 Ryd(4p)	0.000595721	0.294696025 Hartree
50	Cl4 Ryd(5p)	0.000043636	1.327013801 Hartree
51	Cl4 Ryd(6p)	0.000029667	6.789349922 Hartree
52	Cl4 Ryd(7p)	0.000000312	19.040560045 Hartree
53	Cl4 Cor(2p)	1.999993032	-7.875347812 Hartree
54	Cl4 Val(3p)	0.581120388	-0.508185907 Hartree
55	Cl4 Ryd(4p)	0.003864324	0.310920380 Hartree
56	Cl4 Ryd(6p)	0.000048350	2.539060854 Hartree
57	Cl4 Ryd(5p)	0.000076148	6.524688729 Hartree
58	Cl4 Ryd(7p)	0.000000996	17.771684653 Hartree
59	Cl4 Cor(2p)	1.999997406	-7.860389359 Hartree
60	Cl4 Val(3p)	1.987845562	-0.670678328 Hartree
61	Cl4 Ryd(4p)	0.000541344	0.292490539 Hartree
62	Cl4 Ryd(5p)	0.000034191	1.415401589 Hartree
63	Cl4 Ryd(6p)	0.000000359	6.749804103 Hartree
64	Cl4 Ryd(7p)	0.000000234	18.972552278 Hartree
65	Cl4 Ryd(3d)	0.002924000	0.451139292 Hartree
66	Cl4 Ryd(4d)	0.000038036	2.146561446 Hartree
67	Cl4 Ryd(3d)	0.000045394	0.341511586 Hartree
68	Cl4 Ryd(4d)	0.000006122	2.029143616 Hartree
69	Cl4 Ryd(3d)	0.002050973	0.487592256 Hartree
70	Cl4 Ryd(4d)	0.000040418	2.163378819 Hartree
71	Cl4 Ryd(3d)	0.006298584	0.766805469 Hartree
72	Cl4 Ryd(4d)	0.000044732	2.350641346 Hartree
73	Cl4 Ryd(3d)	0.002000779	0.491125738 Hartree
74	Cl4 Ryd(4d)	0.000014114	2.147258684 Hartree

Natural Hybrid Orbitals

Display Range		- / 74
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)O1 s(100.00%)	1.999997648	-20.073006548 Hartree
2	CR(1)Cl4 s(100.00%)	1.999999988	-102.896724373 Hartree
3	CR(2)Cl4 s(100.00%)	1.999990684	-10.257930632 Hartree
4	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999997327	-7.860022344 Hartree
5	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999993032	-7.875347812 Hartree
6	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999997406	-7.860389359 Hartree
7	LP(1)O1 s(25.13%)p2.97(74.70%)d0.01(0.16%)	1.996586702	-0.924248698 Hartree
8	LP(1)Cl4 s(88.07%)p0.14(11.92%)d0.00(0.00%)	1.999555469	-1.102785931 Hartree
9	LP(2)Cl4 s(8.04%)p11.43(91.91%)d0.01(0.05%)	1.996370219	-0.706252765 Hartree
10	LP(3)Cl4 s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.989701755	-0.671030543 Hartree
11	BD(1)O1(H2) 1s(27.86%)p2.58(71.86%)d0.01(0.29%)	1.596590670	-0.928059898 Hartree
12	BD(1)H2(O1) 2s(99.91%)p0.00(0.09%)	0.407204685	-0.145891985 Hartree
13	BD(1)O1(H3) 1s(27.86%)p2.58(71.86%)d0.01(0.29%)	1.596590670	-0.928059898 Hartree
14	BD(1)H3(O1) 3s(99.91%)p0.00(0.09%)	0.407204685	-0.145891985 Hartree
15	BD(1)O1(Cl4) 1s(19.09%)p4.22(80.56%)d0.02(0.34%)	1.461955687	-0.868489579 Hartree
16	BD(1)Cl4(O1) 4s(4.13%)p22.88(94.39%)d0.36(1.49%)	0.537565855	-0.483133753 Hartree
17	RY(1)O1 s(0.00%)p1.00(46.23%)d1.16(53.77%)	0.002645836	0.946190204 Hartree
18	RY(2)O1 s(12.29%)p0.78(9.56%)d6.36(78.15%)	0.001445909	1.063461396 Hartree
19	RY(3)O1 s(3.43%)p14.99(51.48%)d13.13(45.08%)	0.000243955	1.477170985 Hartree
20	RY(4)O1 s(0.13%)p99.99(94.98%)d38.34(4.89%)	0.000001610	3.163285879 Hartree
21	RY(5)O1 s(1.98%)p48.25(95.45%)d1.30(2.57%)	0.000000046	0.703046525 Hartree
22	RY(6)O1 s(8.65%)p9.70(83.95%)d0.86(7.40%)	0.000000000	2.223683927 Hartree
23	RY(7)O1 s(45.46%)p0.83(37.77%)d0.37(16.76%)	0.000000457	2.002549032 Hartree
24	RY(8)O1 s(1.40%)p28.41(39.81%)d41.95(58.79%)	0.000000000	3.335969387 Hartree
25	RY(9)O1 s(13.17%)p4.72(62.19%)d1.87(24.63%)	0.000000000	4.164563981 Hartree
26	RY(10)O1 s(0.00%)p1.00(56.58%)d0.77(43.42%)	0.000000000	1.241406396 Hartree
27	RY(11)O1 s(0.00%)p1.00(95.55%)d0.05(4.45%)	0.000000045	0.597322365 Hartree
28	RY(12)O1 s(60.85%)p0.33(19.90%)d0.32(19.25%)	0.000001036	1.994904945 Hartree
29	RY(13)O1 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000000	5.305321204 Hartree
30	RY(14)O1 s(0.01%)p1.00(0.68%)d99.99(99.31%)	0.000000000	6.425381282 Hartree
31	RY(15)O1 s(0.00%)p1.00(1.49%)d65.97(98.51%)	0.000000000	1.599422411 Hartree
32	RY(16)O1 s(0.00%)p1.00(0.36%)d99.99(99.64%)	0.000000000	6.492864300 Hartree
33	RY(17)O1 s(89.64%)p0.03(2.29%)d0.09(8.07%)	0.000000000	44.358268131 Hartree
34	RY(18)O1 s(0.00%)p1.00(0.21%)d99.99(99.79%)	0.000000000	6.488682531 Hartree
35	RY(19)O1 s(23.00%)p2.11(48.55%)d1.24(28.44%)	0.000000000	2.258323444 Hartree
36	RY(20)O1 s(22.39%)p0.77(17.18%)d2.70(60.43%)	0.000000000	4.851913750 Hartree
37	RY(21)O1 s(0.20%)p41.29(8.37%)d99.99(91.43%)	0.000000000	1.557202055 Hartree
38	RY(22)O1 s(17.46%)p1.63(28.43%)d3.10(54.11%)	0.000000000	6.810755524 Hartree
39	RY(1)H2 s(72.27%)p0.38(27.73%)	0.000783268	1.430146063 Hartree
40	RY(2)H2 s(29.53%)p2.39(70.47%)	0.000373639	1.105695981 Hartree
41	RY(3)H2 s(67.64%)p0.48(32.36%)	0.000230016	1.509766795 Hartree
42	RY(4)H2 s(16.26%)p5.15(83.74%)	0.000015055	1.493035237 Hartree
43	RY(5)H2 s(14.38%)p5.95(85.62%)	0.000002228	2.075583492 Hartree
44	RY(1)H3 s(72.27%)p0.38(27.73%)	0.000783268	1.430146063 Hartree
45	RY(2)H3 s(29.53%)p2.39(70.47%)	0.000373639	1.105695981 Hartree
46	RY(3)H3 s(67.64%)p0.48(32.36%)	0.000230016	1.509766795 Hartree
47	RY(4)H3 s(16.26%)p5.15(83.74%)	0.000015055	1.493035236 Hartree
48	RY(5)H3 s(14.38%)p5.95(85.62%)	0.000002228	2.075583492 Hartree
49	RY(1)Cl4 s(1.16%)p16.06(18.71%)d68.79(80.13%)	0.002383930	0.612915542 Hartree
50	RY(2)Cl4 s(0.00%)p1.00(33.12%)d2.02(66.88%)	0.000860524	0.470314162 Hartree
51	RY(3)Cl4 s(12.48%)p2.40(29.96%)d4.61(57.56%)	0.000290435	0.626906700 Hartree
52	RY(4)Cl4 s(4.36%)p8.74(38.07%)d13.22(57.57%)	0.000009213	1.858871770 Hartree
53	RY(5)Cl4 s(7.98%)p6.92(55.24%)d4.61(36.78%)	0.000001430	3.421168237 Hartree
54	RY(6)Cl4 s(0.00%)p1.00(51.70%)d0.93(48.30%)	0.000002317	1.685249530 Hartree
55	RY(7)Cl4 s(1.59%)p30.31(48.17%)d31.61(50.25%)	0.000002298	1.816958771 Hartree
56	RY(8)Cl4 s(99.85%)p0.00(0.13%)d0.00(0.02%)	0.000000000	206.301773783 Hartree
57	RY(9)Cl4 s(18.14%)p2.93(53.20%)d1.58(28.66%)	0.000000060	1.355593321 Hartree
58	RY(10)Cl4 s(0.18%)p99.99(98.87%)d5.41(0.95%)	0.000000000	1.274892867 Hartree
59	RY(11)Cl4 s(5.29%)p10.81(57.20%)d7.09(37.50%)	0.000000000	2.319931062 Hartree
60	RY(12)Cl4 s(4.50%)p16.71(75.20%)d4.51(20.30%)	0.000000000	16.341498925 Hartree
61	RY(13)Cl4 s(1.51%)p58.53(88.42%)d6.67(10.07%)	0.000000002	2.534042358 Hartree
62	RY(14)Cl4 s(28.83%)p2.09(60.19%)d0.38(10.98%)	0.000000000	7.597250616 Hartree
63	RY(15)Cl4 s(5.06%)p17.97(90.85%)d0.81(4.09%)	0.000000000	17.564555712 Hartree
64	RY(16)Cl4 s(0.00%)p1.00(99.96%)d0.00(0.04%)	0.000000000	1.188146309 Hartree
65	RY(17)Cl4 s(0.00%)p1.00(94.87%)d0.05(5.13%)	0.000000000	5.232437570 Hartree
66	RY(18)Cl4 s(0.00%)p1.00(95.47%)d0.05(4.53%)	0.000000000	19.752641407 Hartree
67	RY(19)Cl4 s(85.35%)p0.08(7.00%)d0.09(7.65%)	0.000000000	0.813651303 Hartree
68	RY(20)Cl4 s(0.00%)p1.00(1.93%)d50.69(98.07%)	0.000000000	0.359526790 Hartree
69	RY(21)Cl4 s(0.00%)p1.00(0.40%)d99.99(99.60%)	0.000000000	2.035647111 Hartree
70	RY(22)Cl4 s(10.10%)p4.49(45.33%)d4.41(44.58%)	0.000000000	8.334025068 Hartree
71	RY(23)Cl4 s(0.00%)p1.00(22.62%)d3.42(77.38%)	0.000000000	1.728264122 Hartree
72	RY(24)Cl4 s(84.58%)p0.16(13.76%)d0.02(1.66%)	0.000000000	14.905988634 Hartree
73	RY(25)Cl4 s(0.43%)p9.19(3.94%)d99.99(95.63%)	0.000000000	0.530016799 Hartree
74	RY(26)Cl4 s(28.38%)p0.62(17.54%)d1.91(54.09%)	0.000000000	1.431016781 Hartree

Natural Bond Orbitals

Display Range		- / 74
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)O1	1	1.999997648	-20.073006548 Hartree
2	CR(1)Cl4	2	1.999999988	-102.896724373 Hartree
3	CR(2)Cl4	3	1.999990684	-10.257930632 Hartree
4	CR(3)Cl4	4	1.999997327	-7.860022344 Hartree
5	CR(4)Cl4	5	1.999993032	-7.875347812 Hartree
6	CR(5)Cl4	6	1.999997406	-7.860389359 Hartree
7	LP(1)O1	7	1.996586702	-0.924248698 Hartree
8	LP(1)Cl4	8	1.999555469	-1.102785931 Hartree
9	LP(2)Cl4	9	1.996370219	-0.706252765 Hartree
10	LP(3)Cl4	10	1.989701755	-0.671030543 Hartree
11	BD(1)O1-H2	11, 12	1.998240848	-1.187214832 Hartree
12	BD(1)O1-H3	13, 14	1.998240848	-1.187214832 Hartree
13	BD(1)O1-Cl4	15, 16	1.997920508	-1.084379381 Hartree
14	BD*(1)O1-H2		0.005554507	0.113262950 Hartree
15	BD*(1)O1-H3		0.005554507	0.113262950 Hartree
16	BD*(1)O1-Cl4		0.001601034	-0.267243952 Hartree
17	RY(1)O1	17	0.002645836	0.946190204 Hartree
18	RY(2)O1	18	0.001445909	1.063461396 Hartree
19	RY(3)O1	19	0.000243955	1.477170985 Hartree
20	RY(4)O1	20	0.000001610	3.163285879 Hartree
21	RY(5)O1	21	0.000000046	0.703046525 Hartree
22	RY(6)O1	22	0.000000000	2.223683927 Hartree
23	RY(7)O1	23	0.000000457	2.002549032 Hartree
24	RY(8)O1	24	0.000000000	3.335969387 Hartree
25	RY(9)O1	25	0.000000000	4.164563981 Hartree
26	RY(10)O1	26	0.000000000	1.241406396 Hartree
27	RY(11)O1	27	0.000000045	0.597322365 Hartree
28	RY(12)O1	28	0.000001036	1.994904945 Hartree
29	RY(13)O1	29	0.000000000	5.305321204 Hartree
30	RY(14)O1	30	0.000000000	6.425381282 Hartree
31	RY(15)O1	31	0.000000000	1.599422411 Hartree
32	RY(16)O1	32	0.000000000	6.492864300 Hartree
33	RY(17)O1	33	0.000000000	44.358268131 Hartree
34	RY(18)O1	34	0.000000000	6.488682531 Hartree
35	RY(19)O1	35	0.000000000	2.258323444 Hartree
36	RY(20)O1	36	0.000000000	4.851913750 Hartree
37	RY(21)O1	37	0.000000000	1.557202055 Hartree
38	RY(22)O1	38	0.000000000	6.810755524 Hartree
39	RY(1)H2	39	0.000783268	1.430146063 Hartree
40	RY(2)H2	40	0.000373639	1.105695981 Hartree
41	RY(3)H2	41	0.000230016	1.509766795 Hartree
42	RY(4)H2	42	0.000015055	1.493035237 Hartree
43	RY(5)H2	43	0.000002228	2.075583492 Hartree
44	RY(1)H3	44	0.000783268	1.430146063 Hartree
45	RY(2)H3	45	0.000373639	1.105695981 Hartree
46	RY(3)H3	46	0.000230016	1.509766795 Hartree
47	RY(4)H3	47	0.000015055	1.493035236 Hartree
48	RY(5)H3	48	0.000002228	2.075583492 Hartree
49	RY(1)Cl4	49	0.002383930	0.612915542 Hartree
50	RY(2)Cl4	50	0.000860524	0.470314162 Hartree
51	RY(3)Cl4	51	0.000290435	0.626906700 Hartree
52	RY(4)Cl4	52	0.000009213	1.858871770 Hartree
53	RY(5)Cl4	53	0.000001430	3.421168237 Hartree
54	RY(6)Cl4	54	0.000002317	1.685249530 Hartree
55	RY(7)Cl4	55	0.000002298	1.816958771 Hartree
56	RY(8)Cl4	56	0.000000000	206.301773783 Hartree
57	RY(9)Cl4	57	0.000000060	1.355593321 Hartree
58	RY(10)Cl4	58	0.000000000	1.274892867 Hartree
59	RY(11)Cl4	59	0.000000000	2.319931062 Hartree
60	RY(12)Cl4	60	0.000000000	16.341498925 Hartree
61	RY(13)Cl4	61	0.000000002	2.534042358 Hartree
62	RY(14)Cl4	62	0.000000000	7.597250616 Hartree
63	RY(15)Cl4	63	0.000000000	17.564555712 Hartree
64	RY(16)Cl4	64	0.000000000	1.188146309 Hartree
65	RY(17)Cl4	65	0.000000000	5.232437570 Hartree
66	RY(18)Cl4	66	0.000000000	19.752641407 Hartree
67	RY(19)Cl4	67	0.000000000	0.813651303 Hartree
68	RY(20)Cl4	68	0.000000000	0.359526790 Hartree
69	RY(21)Cl4	69	0.000000000	2.035647111 Hartree
70	RY(22)Cl4	70	0.000000000	8.334025068 Hartree
71	RY(23)Cl4	71	0.000000000	1.728264122 Hartree
72	RY(24)Cl4	72	0.000000000	14.905988634 Hartree
73	RY(25)Cl4	73	0.000000000	0.530016799 Hartree
74	RY(26)Cl4	74	0.000000000	1.431016781 Hartree

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