WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	AlCl3
Symmetry	D3H
Basis	6-31G(d)
RB3LYP Energy	-1623.23326641 Hartree
Dipole Moment	0.0000 Debye
Server	batch (390307)
CPU time	1.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.2116713	0.07377341361
b	2.2116713	0.07377341361
c	1.1058356	0.03688670514

Atom	Symbol	Charge
1	Al	0.575977
2	Cl	-0.191992
3	Cl	-0.191992
4	Cl	-0.191992

Display Range		- / 76
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1'	2	-101.55799 Hartree
2	E'	2	-101.55799 Hartree
3	E'	2	-101.55799 Hartree
4	A1'	2	-56.15741 Hartree
5	E'	2	-9.47659 Hartree
6	E'	2	-9.47659 Hartree
7	A1'	2	-9.47658 Hartree
8	E'	2	-7.23696 Hartree
9	E'	2	-7.23696 Hartree
10	A1'	2	-7.23694 Hartree
11	A2"	2	-7.23267 Hartree
12	E"	2	-7.23265 Hartree
13	E"	2	-7.23265 Hartree
14	E'	2	-7.23182 Hartree
15	E'	2	-7.23182 Hartree
16	A2'	2	-7.23182 Hartree
17	A1'	2	-4.23851 Hartree
18	A2"	2	-2.79474 Hartree
19	E'	2	-2.79023 Hartree
20	E'	2	-2.79023 Hartree
21	A1'	2	-0.84829 Hartree
22	E'	2	-0.83208 Hartree
23	E'	2	-0.83208 Hartree
24	A1'	2	-0.47235 Hartree
25	E'	2	-0.40831 Hartree
26	E'	2	-0.40831 Hartree
27	A2"	2	-0.37325 Hartree
28	E'	2	-0.35651 Hartree
29	E'	2	-0.35651 Hartree
30	E"	2	-0.35022 Hartree
31	E"	2	-0.35022 Hartree
32	A2'	2	-0.33326 Hartree
33	A1'	0	-0.06554 Hartree
34	A2"	0	-0.05440 Hartree
35	E'	0	0.05248 Hartree
36	E'	0	0.05248 Hartree
37	A1'	0	0.09228 Hartree
38	A2"	0	0.14346 Hartree
39	E'	0	0.17340 Hartree
40	E'	0	0.17340 Hartree
41	E'	0	0.32920 Hartree
42	E'	0	0.32920 Hartree
43	A1'	0	0.34548 Hartree
44	E"	0	0.36457 Hartree
45	E"	0	0.36457 Hartree
46	E'	0	0.44035 Hartree
47	E'	0	0.44035 Hartree
48	E"	0	0.45520 Hartree
49	E"	0	0.45520 Hartree
50	A2'	0	0.51239 Hartree
51	A2"	0	0.53153 Hartree
52	A1'	0	0.53584 Hartree
53	A1'	0	0.57001 Hartree
54	E'	0	0.60860 Hartree
55	E'	0	0.60860 Hartree
56	E'	0	0.62577 Hartree
57	E'	0	0.62577 Hartree
58	A2'	0	0.83307 Hartree
59	E"	0	0.84802 Hartree
60	E"	0	0.84802 Hartree
61	A1"	0	0.84885 Hartree
62	E'	0	0.85052 Hartree
63	E'	0	0.85052 Hartree
64	A1'	0	0.85970 Hartree
65	A2"	0	0.89020 Hartree
66	E"	0	0.95701 Hartree
67	E"	0	0.95701 Hartree
68	E'	0	1.01228 Hartree
69	E'	0	1.01228 Hartree
70	A1'	0	1.16140 Hartree
71	E'	0	1.27972 Hartree
72	E'	0	1.27972 Hartree
73	A1'	0	2.05914 Hartree
74	A1'	0	4.23555 Hartree
75	E'	0	4.24407 Hartree
76	E'	0	4.24407 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	Al	1.49783
2	Cl	-0.49928
3	Cl	-0.49928
4	Cl	-0.49928

Display Range		- / 76
Orbital	Description	Occupancy	Energy	Actions
1	Al1 Cor(1s)	1.999999990	-52.824903980 Hartree
2	Al1 Cor(2s)	1.999985583	-7.570943351 Hartree
3	Al1 Val(3s)	0.586064274	-0.181817963 Hartree
4	Al1 Ryd(4s)	0.000220437	1.557618777 Hartree
5	Al1 Ryd(5s)	0.000002211	0.492296693 Hartree
6	Al1 Cor(2p)	1.999960178	-2.790166032 Hartree
7	Al1 Val(3p)	0.306888232	0.040046771 Hartree
8	Al1 Ryd(4p)	0.004503364	0.162181407 Hartree
9	Al1 Cor(2p)	1.999960178	-2.790166032 Hartree
10	Al1 Val(3p)	0.306888232	0.040046771 Hartree
11	Al1 Ryd(4p)	0.004503364	0.162181407 Hartree
12	Al1 Cor(2p)	1.999998223	-2.794735164 Hartree
13	Al1 Val(3p)	0.237837570	-0.071634336 Hartree
14	Al1 Ryd(4p)	0.000880059	0.136715952 Hartree
15	Al1 Ryd(3d)	0.017438489	0.600775177 Hartree
16	Al1 Ryd(3d)	0.007994387	0.442578961 Hartree
17	Al1 Ryd(3d)	0.007994387	0.442578961 Hartree
18	Al1 Ryd(3d)	0.017438489	0.600775177 Hartree
19	Al1 Ryd(3d)	0.003612741	0.516984800 Hartree
20	Cl2 Cor(1s)	1.999999997	-101.365789454 Hartree
21	Cl2 Cor(2s)	1.999989774	-9.668171104 Hartree
22	Cl2 Val(3s)	1.911532813	-0.779547963 Hartree
23	Cl2 Ryd(4s)	0.000849020	0.701740727 Hartree
24	Cl2 Ryd(5s)	0.000000315	4.237694222 Hartree
25	Cl2 Cor(2p)	1.999994348	-7.231761168 Hartree
26	Cl2 Val(3p)	1.945259816	-0.339660424 Hartree
27	Cl2 Ryd(4p)	0.000360738	0.499231800 Hartree
28	Cl2 Cor(2p)	1.999988322	-7.236893892 Hartree
29	Cl2 Val(3p)	1.719709643	-0.358220527 Hartree
30	Cl2 Ryd(4p)	0.000847239	0.453198990 Hartree
31	Cl2 Cor(2p)	1.999996745	-7.232605262 Hartree
32	Cl2 Val(3p)	1.913211638	-0.342431594 Hartree
33	Cl2 Ryd(4p)	0.000404115	0.478164403 Hartree
34	Cl2 Ryd(3d)	0.001424836	0.882405178 Hartree
35	Cl2 Ryd(3d)	0.000007223	0.850121391 Hartree
36	Cl2 Ryd(3d)	0.001478737	0.875858138 Hartree
37	Cl2 Ryd(3d)	0.003234329	0.986032527 Hartree
38	Cl2 Ryd(3d)	0.000986890	0.894095814 Hartree
39	Cl3 Cor(1s)	1.999999997	-101.365789455 Hartree
40	Cl3 Cor(2s)	1.999989774	-9.668171103 Hartree
41	Cl3 Val(3s)	1.911532813	-0.779547963 Hartree
42	Cl3 Ryd(4s)	0.000849020	0.701740727 Hartree
43	Cl3 Ryd(5s)	0.000000315	4.237694222 Hartree
44	Cl3 Cor(2p)	1.999989828	-7.235610711 Hartree
45	Cl3 Val(3p)	1.776097186	-0.353580501 Hartree
46	Cl3 Ryd(4p)	0.000725614	0.464707193 Hartree
47	Cl3 Cor(2p)	1.999992841	-7.233044349 Hartree
48	Cl3 Val(3p)	1.888872272	-0.344300450 Hartree
49	Cl3 Ryd(4p)	0.000482363	0.487723598 Hartree
50	Cl3 Cor(2p)	1.999996745	-7.232605262 Hartree
51	Cl3 Val(3p)	1.913211638	-0.342431594 Hartree
52	Cl3 Ryd(4p)	0.000404115	0.478164403 Hartree
53	Cl3 Ryd(3d)	0.002781956	0.960125690 Hartree
54	Cl3 Ryd(3d)	0.001110859	0.869423952 Hartree
55	Cl3 Ryd(3d)	0.000375102	0.856555578 Hartree
56	Cl3 Ryd(3d)	0.001877210	0.908312015 Hartree
57	Cl3 Ryd(3d)	0.000986890	0.894095814 Hartree
58	Cl4 Cor(1s)	1.999999997	-101.365789454 Hartree
59	Cl4 Cor(2s)	1.999989774	-9.668171104 Hartree
60	Cl4 Val(3s)	1.911532813	-0.779547963 Hartree
61	Cl4 Ryd(4s)	0.000849020	0.701740727 Hartree
62	Cl4 Ryd(5s)	0.000000315	4.237694222 Hartree
63	Cl4 Cor(2p)	1.999989828	-7.235610711 Hartree
64	Cl4 Val(3p)	1.776097186	-0.353580501 Hartree
65	Cl4 Ryd(4p)	0.000725614	0.464707193 Hartree
66	Cl4 Cor(2p)	1.999992841	-7.233044349 Hartree
67	Cl4 Val(3p)	1.888872272	-0.344300450 Hartree
68	Cl4 Ryd(4p)	0.000482363	0.487723598 Hartree
69	Cl4 Cor(2p)	1.999996745	-7.232605262 Hartree
70	Cl4 Val(3p)	1.913211638	-0.342431594 Hartree
71	Cl4 Ryd(4p)	0.000404115	0.478164403 Hartree
72	Cl4 Ryd(3d)	0.002781956	0.960125690 Hartree
73	Cl4 Ryd(3d)	0.001110859	0.869423952 Hartree
74	Cl4 Ryd(3d)	0.000375102	0.856555578 Hartree
75	Cl4 Ryd(3d)	0.001877210	0.908312015 Hartree
76	Cl4 Ryd(3d)	0.000986890	0.894095814 Hartree

Display Range		- / 76
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)Al1 s(100.00%)	1.999999990	-52.824903980 Hartree
2	CR(2)Al1 s(100.00%)	1.999985583	-7.570943351 Hartree
3	CR(3)Al1 s(0.00%)p1.00(100.00%)	1.999960178	-2.790166032 Hartree
4	CR(4)Al1 s(0.00%)p1.00(100.00%)	1.999960178	-2.790166032 Hartree
5	CR(5)Al1 s(0.00%)p1.00(100.00%)	1.999998223	-2.794735164 Hartree
6	CR(1)Cl2 s(100.00%)	1.999999997	-101.365789454 Hartree
7	CR(2)Cl2 s(100.00%)	1.999989774	-9.668171104 Hartree
8	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999994348	-7.231761168 Hartree
9	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999988322	-7.236893892 Hartree
10	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999996745	-7.232605262 Hartree
11	CR(1)Cl3 s(100.00%)	1.999999997	-101.365789455 Hartree
12	CR(2)Cl3 s(100.00%)	1.999989774	-9.668171103 Hartree
13	CR(3)Cl3 s(0.00%)p1.00(100.00%)	1.999989828	-7.235610711 Hartree
14	CR(4)Cl3 s(0.00%)p1.00(100.00%)	1.999992841	-7.233044349 Hartree
15	CR(5)Cl3 s(0.00%)p1.00(100.00%)	1.999996745	-7.232605262 Hartree
16	CR(1)Cl4 s(100.00%)	1.999999997	-101.365789454 Hartree
17	CR(2)Cl4 s(100.00%)	1.999989774	-9.668171104 Hartree
18	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999989828	-7.235610711 Hartree
19	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999992841	-7.233044349 Hartree
20	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999996745	-7.232605262 Hartree
21	LP(1)Cl2 s(77.48%)p0.29(22.52%)d0.00(0.01%)	1.988668159	-0.682861296 Hartree
22	LP(2)Cl2 s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.946683844	-0.339682905 Hartree
23	LP(3)Cl2 s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.914872275	-0.342565842 Hartree
24	LP(1)Cl3 s(77.48%)p0.29(22.52%)d0.00(0.01%)	1.988668159	-0.682861296 Hartree
25	LP(2)Cl3 s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.946683844	-0.339682905 Hartree
26	LP(3)Cl3 s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.914872275	-0.342565842 Hartree
27	LP(1)Cl4 s(77.48%)p0.29(22.52%)d0.00(0.01%)	1.988668159	-0.682861296 Hartree
28	LP(2)Cl4 s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.946683844	-0.339682905 Hartree
29	LP(3)Cl4 s(0.00%)p1.00(99.92%)d0.00(0.08%)	1.914872275	-0.342565842 Hartree
30	BD(1)Al1(Cl2) 1s(33.13%)p1.94(64.23%)d0.08(2.64%)	0.399301418	0.010989334 Hartree
31	BD(1)Cl2(Al1) 2s(22.53%)p3.43(77.22%)d0.01(0.25%)	1.648081820	-0.451952118 Hartree
32	BD(1)Al1(Cl3) 1s(33.13%)p1.94(64.23%)d0.08(2.64%)	0.399301418	0.010989334 Hartree
33	BD(1)Cl3(Al1) 3s(22.53%)p3.43(77.22%)d0.01(0.25%)	1.648081820	-0.451952118 Hartree
34	BD(1)Al1(Cl4) 1s(33.13%)p1.94(64.23%)d0.08(2.64%)	0.399301418	0.010989334 Hartree
35	BD(1)Cl4(Al1) 4s(22.53%)p3.43(77.22%)d0.01(0.25%)	1.648081820	-0.451952118 Hartree
36	RY(1)Al1 s(0.00%)p1.00(19.39%)d4.16(80.61%)	0.238711410	-0.077082406 Hartree
37	RY(2)Al1 s(0.00%)p1.00(19.39%)d4.16(80.61%)	0.023009347	0.492091986 Hartree
38	RY(3)Al1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.023009347	0.492091986 Hartree
39	RY(4)Al1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.007994387	0.442578961 Hartree
40	RY(5)Al1 s(0.00%)p1.00(84.27%)d0.19(15.73%)	0.007994387	0.442578961 Hartree
41	RY(6)Al1 s(0.00%)p1.00(84.27%)d0.19(15.73%)	0.001690424	0.208811173 Hartree
42	RY(7)Al1 s(89.81%)p0.00(0.00%)d0.11(10.19%)	0.001690424	0.208811173 Hartree
43	RY(8)Al1 s(0.00%)p1.00(100.00%)	0.000248361	1.449313549 Hartree
44	RY(9)Al1 s(17.84%)p0.00(0.00%)d4.61(82.16%)	0.000006219	0.142164022 Hartree
45	RY(10)Al1 s(92.97%)p0.00(0.00%)d0.08(7.03%)	0.000005769	0.698608496 Hartree
46	RY(1)Cl2 s(91.64%)p0.05(4.88%)d0.04(3.48%)	0.000001907	0.408392652 Hartree
47	RY(2)Cl2 s(0.00%)p1.00(65.99%)d0.52(34.01%)	0.000371744	0.652355672 Hartree
48	RY(3)Cl2 s(0.00%)p1.00(86.72%)d0.15(13.28%)	0.000293907	0.577724396 Hartree
49	RY(4)Cl2 s(0.00%)p1.00(34.08%)d1.93(65.92%)	0.000222074	0.497481922 Hartree
50	RY(5)Cl2 s(7.39%)p9.60(70.95%)d2.93(21.65%)	0.000067640	0.803935064 Hartree
51	RY(6)Cl2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000036692	0.540558325 Hartree
52	RY(7)Cl2 s(93.30%)p0.02(2.11%)d0.05(4.58%)	0.000007223	0.850121391 Hartree
53	RY(8)Cl2 s(0.94%)p0.53(0.50%)d99.99(98.56%)	0.000000277	4.002805995 Hartree
54	RY(9)Cl2 s(0.00%)p1.00(13.36%)d6.48(86.64%)	0.000001197	0.863140159 Hartree
55	RY(10)Cl2 s(6.71%)p3.25(21.81%)d10.65(71.48%)	0.000000142	0.856674867 Hartree
56	RY(1)Cl3 s(91.64%)p0.05(4.88%)d0.04(3.48%)	0.000000361	1.210947053 Hartree
57	RY(2)Cl3 s(0.00%)p1.00(65.99%)d0.52(34.01%)	0.000371744	0.652355672 Hartree
58	RY(3)Cl3 s(0.00%)p1.00(86.72%)d0.15(13.28%)	0.000293907	0.577724396 Hartree
59	RY(4)Cl3 s(0.00%)p1.00(34.08%)d1.93(65.92%)	0.000222074	0.497481922 Hartree
60	RY(5)Cl3 s(7.39%)p9.60(70.95%)d2.93(21.65%)	0.000067640	0.803935064 Hartree
61	RY(6)Cl3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000036692	0.540558325 Hartree
62	RY(7)Cl3 s(93.30%)p0.02(2.11%)d0.05(4.58%)	0.000007223	0.850121391 Hartree
63	RY(8)Cl3 s(0.94%)p0.53(0.50%)d99.99(98.56%)	0.000000277	4.002806134 Hartree
64	RY(9)Cl3 s(0.00%)p1.00(13.36%)d6.48(86.64%)	0.000001197	0.863140159 Hartree
65	RY(10)Cl3 s(6.71%)p3.25(21.81%)d10.65(71.48%)	0.000000142	0.856674867 Hartree
66	RY(1)Cl4 s(91.64%)p0.05(4.88%)d0.04(3.48%)	0.000000361	1.210946914 Hartree
67	RY(2)Cl4 s(0.00%)p1.00(65.99%)d0.52(34.01%)	0.000371744	0.652355672 Hartree
68	RY(3)Cl4 s(0.00%)p1.00(86.72%)d0.15(13.28%)	0.000293907	0.577724396 Hartree
69	RY(4)Cl4 s(0.00%)p1.00(34.08%)d1.93(65.92%)	0.000222074	0.497481922 Hartree
70	RY(5)Cl4 s(7.39%)p9.60(70.95%)d2.93(21.65%)	0.000067640	0.803935064 Hartree
71	RY(6)Cl4 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000036692	0.540558325 Hartree
72	RY(7)Cl4 s(93.30%)p0.02(2.11%)d0.05(4.58%)	0.000007223	0.850121391 Hartree
73	RY(8)Cl4 s(0.94%)p0.53(0.50%)d99.99(98.56%)	0.000000277	4.002806051 Hartree
74	RY(9)Cl4 s(0.00%)p1.00(13.36%)d6.48(86.64%)	0.000001197	0.863140160 Hartree
75	RY(10)Cl4 s(6.71%)p3.25(21.81%)d10.65(71.48%)	0.000000142	0.856674867 Hartree
76		0.000000361	1.210946997 Hartree

Display Range		- / 76
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)Al1	112	1.999999990	-52.824903980 Hartree
2	CR(2)Al1	113	1.999985583	-7.570943351 Hartree
3	CR(3)Al1	114	1.999960178	-2.790166032 Hartree
4	CR(4)Al1	115	1.999960178	-2.790166032 Hartree
5	CR(5)Al1	116	1.999998223	-2.794735164 Hartree
6	CR(1)Cl2	117	1.999999997	-101.365789454 Hartree
7	CR(2)Cl2	118	1.999989774	-9.668171104 Hartree
8	CR(3)Cl2	119	1.999994348	-7.231761168 Hartree
9	CR(4)Cl2	120	1.999988322	-7.236893892 Hartree
10	CR(5)Cl2	121	1.999996745	-7.232605262 Hartree
11	CR(1)Cl3	122	1.999999997	-101.365789455 Hartree
12	CR(2)Cl3	123	1.999989774	-9.668171103 Hartree
13	CR(3)Cl3	124	1.999989828	-7.235610711 Hartree
14	CR(4)Cl3	125	1.999992841	-7.233044349 Hartree
15	CR(5)Cl3	126	1.999996745	-7.232605262 Hartree
16	CR(1)Cl4	127	1.999999997	-101.365789454 Hartree
17	CR(2)Cl4	128	1.999989774	-9.668171104 Hartree
18	CR(3)Cl4	129	1.999989828	-7.235610711 Hartree
19	CR(4)Cl4	130	1.999992841	-7.233044349 Hartree
20	CR(5)Cl4	131	1.999996745	-7.232605262 Hartree
21	LP(1)Cl2	132	1.988668159	-0.682861296 Hartree
22	LP(2)Cl2	133	1.946683844	-0.339682905 Hartree
23	LP(3)Cl2	134	1.914872275	-0.342565842 Hartree
24	LP(1)Cl3	135	1.988668159	-0.682861296 Hartree
25	LP(2)Cl3	136	1.946683844	-0.339682905 Hartree
26	LP(3)Cl3	137	1.914872275	-0.342565842 Hartree
27	LP(1)Cl4	138	1.988668159	-0.682861296 Hartree
28	LP(2)Cl4	139	1.946683844	-0.339682905 Hartree
29	LP(3)Cl4	140	1.914872275	-0.342565842 Hartree
30	BD(1)Al1-Cl2	141, 142	1.980414172	-0.573153379 Hartree
31	BD(1)Al1-Cl3	143, 144	1.980414172	-0.573153379 Hartree
32	BD(1)Al1-Cl4	145, 146	1.980414172	-0.573153379 Hartree
33	LV(1)Al1	145, 146	0.238711410	-0.077082406 Hartree
34	BD*(1)Al1-Cl2		0.066969066	0.132190596 Hartree
35	BD*(1)Al1-Cl3		0.066969066	0.132190596 Hartree
36	BD*(1)Al1-Cl4		0.066969066	0.132190596 Hartree
37	RY(1)Al1	147	0.023009347	0.492091986 Hartree
38	RY(2)Al1	148	0.023009347	0.492091986 Hartree
39	RY(3)Al1	149	0.007994387	0.442578961 Hartree
40	RY(4)Al1	150	0.007994387	0.442578961 Hartree
41	RY(5)Al1	151	0.001690424	0.208811173 Hartree
42	RY(6)Al1	152	0.001690424	0.208811173 Hartree
43	RY(7)Al1	153	0.000248361	1.449313549 Hartree
44	RY(8)Al1	154	0.000006219	0.142164022 Hartree
45	RY(9)Al1	155	0.000005769	0.698608496 Hartree
46	RY(10)Al1	156	0.000001907	0.408392652 Hartree
47	RY(1)Cl2	157	0.000371744	0.652355672 Hartree
48	RY(2)Cl2	158	0.000293907	0.577724396 Hartree
49	RY(3)Cl2	159	0.000222074	0.497481922 Hartree
50	RY(4)Cl2	160	0.000067640	0.803935064 Hartree
51	RY(5)Cl2	161	0.000036692	0.540558325 Hartree
52	RY(6)Cl2	162	0.000007223	0.850121391 Hartree
53	RY(7)Cl2	163	0.000000277	4.002805995 Hartree
54	RY(8)Cl2	164	0.000001197	0.863140159 Hartree
55	RY(9)Cl2	165	0.000000142	0.856674867 Hartree
56	RY(10)Cl2	166	0.000000361	1.210947053 Hartree
57	RY(1)Cl3	167	0.000371744	0.652355672 Hartree
58	RY(2)Cl3	168	0.000293907	0.577724396 Hartree
59	RY(3)Cl3	169	0.000222074	0.497481922 Hartree
60	RY(4)Cl3	170	0.000067640	0.803935064 Hartree
61	RY(5)Cl3	171	0.000036692	0.540558325 Hartree
62	RY(6)Cl3	172	0.000007223	0.850121391 Hartree
63	RY(7)Cl3	173	0.000000277	4.002806134 Hartree
64	RY(8)Cl3	174	0.000001197	0.863140159 Hartree
65	RY(9)Cl3	175	0.000000142	0.856674867 Hartree
66	RY(10)Cl3	176	0.000000361	1.210946914 Hartree
67	RY(1)Cl4	177	0.000371744	0.652355672 Hartree
68	RY(2)Cl4	178	0.000293907	0.577724396 Hartree
69	RY(3)Cl4	179	0.000222074	0.497481922 Hartree
70	RY(4)Cl4	180	0.000067640	0.803935064 Hartree
71	RY(5)Cl4	181	0.000036692	0.540558325 Hartree
72	RY(6)Cl4	182	0.000007223	0.850121391 Hartree
73	RY(7)Cl4	183	0.000000277	4.002806051 Hartree
74	RY(8)Cl4	184	0.000001197	0.863140160 Hartree
75	RY(9)Cl4	185	0.000000142	0.856674867 Hartree
76	RY(10)Cl4	186	0.000000361	1.210946997 Hartree

IT CANNOT BE MY BEAUTY, FOR I HAVE NONE; AND IT CANNOT BE MY WIT, FOR HE HAS NOT ENOUGH TO KNOW THAT I HAVE ANY. -- CATHARINE SEDLEY, PUZZLED ABOUT WHY SHE WAS MISTRESS TO JAMES II