WebMO Job Summary

Overview

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	Cl₃P
Symmetry	C3V
Basis	6-31G(d)
RB3LYP Energy	-1721.99909597 Hartree
Dipole Moment	0.9926 Debye
Server	batch (202659)
CPU time	15.3 sec

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	2.4796951	0.08271372524
b	2.4796951	0.08271372524
c	1.3837700	0.04615759880

Partial Charges

Atom	Symbol	Charge
1	P	0.474091
2	Cl	-0.158030
3	Cl	-0.158030
4	Cl	-0.158030

Molecular Orbitals

Display Range		- / 76
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-101.57353 Hartree
2	E	2	-101.57353 Hartree
3	E	2	-101.57353 Hartree
4	A1	2	-77.23158 Hartree
5	E	2	-9.49239 Hartree
6	E	2	-9.49239 Hartree
7	A1	2	-9.49238 Hartree
8	E	2	-7.25507 Hartree
9	E	2	-7.25507 Hartree
10	A1	2	-7.25506 Hartree
11	A2	2	-7.24688 Hartree
12	E	2	-7.24687 Hartree
13	E	2	-7.24687 Hartree
14	E	2	-7.24659 Hartree
15	E	2	-7.24659 Hartree
16	A1	2	-7.24657 Hartree
17	A1	2	-6.69326 Hartree
18	E	2	-4.85535 Hartree
19	E	2	-4.85535 Hartree
20	A1	2	-4.85031 Hartree
21	A1	2	-0.90952 Hartree
22	E	2	-0.84994 Hartree
23	E	2	-0.84994 Hartree
24	A1	2	-0.62595 Hartree
25	E	2	-0.46383 Hartree
26	E	2	-0.46383 Hartree
27	A1	2	-0.41955 Hartree
28	E	2	-0.37166 Hartree
29	E	2	-0.37166 Hartree
30	E	2	-0.34464 Hartree
31	E	2	-0.34464 Hartree
32	A2	2	-0.33460 Hartree
33	A1	2	-0.30248 Hartree
34	A1	0	-0.07496 Hartree
35	E	0	-0.06710 Hartree
36	E	0	-0.06710 Hartree
37	E	0	0.22990 Hartree
38	E	0	0.22990 Hartree
39	A1	0	0.23377 Hartree
40	A1	0	0.28314 Hartree
41	E	0	0.35877 Hartree
42	E	0	0.35877 Hartree
43	A1	0	0.38056 Hartree
44	E	0	0.38174 Hartree
45	E	0	0.38174 Hartree
46	A1	0	0.43494 Hartree
47	E	0	0.48867 Hartree
48	E	0	0.48867 Hartree
49	A1	0	0.50782 Hartree
50	A2	0	0.50939 Hartree
51	E	0	0.54311 Hartree
52	E	0	0.54311 Hartree
53	E	0	0.55603 Hartree
54	E	0	0.55603 Hartree
55	E	0	0.66966 Hartree
56	E	0	0.66966 Hartree
57	A1	0	0.69415 Hartree
58	A2	0	0.82667 Hartree
59	E	0	0.83884 Hartree
60	E	0	0.83884 Hartree
61	A1	0	0.83950 Hartree
62	A2	0	0.84834 Hartree
63	E	0	0.85515 Hartree
64	E	0	0.85515 Hartree
65	E	0	0.87179 Hartree
66	E	0	0.87179 Hartree
67	E	0	0.93883 Hartree
68	E	0	0.93883 Hartree
69	A1	0	0.96757 Hartree
70	A1	0	1.14937 Hartree
71	E	0	1.22160 Hartree
72	E	0	1.22160 Hartree
73	A1	0	3.29126 Hartree
74	A1	0	4.20907 Hartree
75	E	0	4.21740 Hartree
76	E	0	4.21740 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom	Symbol	Charge
1	P	0.78752
2	Cl	-0.26251
3	Cl	-0.26251
4	Cl	-0.26251

Natural Atomic Orbitals

Display Range		- / 76
Orbital	Description	Occupancy	Energy	Actions
1	P1 Cor(1S)	1.999999552	-76.830111746 Hartree
2	P1 Cor(2S)	1.999844949	-7.006983199 Hartree
3	P1 Val(3S)	1.746691702	-0.624029277 Hartree
4	P1 Ryd(4S)	0.016162390	0.297455165 Hartree
5	P1 Ryd(5S)	0.000007680	3.268590741 Hartree
6	P1 Cor(2p)	1.999981286	-4.853065971 Hartree
7	P1 Val(3p)	0.639898988	-0.223055367 Hartree
8	P1 Ryd(4p)	0.008980826	0.283452577 Hartree
9	P1 Cor(2p)	1.999981286	-4.853065971 Hartree
10	P1 Val(3p)	0.639898988	-0.223055367 Hartree
11	P1 Ryd(4p)	0.008980826	0.283452577 Hartree
12	P1 Cor(2p)	1.999983473	-4.849101222 Hartree
13	P1 Val(3p)	1.085477750	-0.247329288 Hartree
14	P1 Ryd(4p)	0.004919737	0.291644950 Hartree
15	P1 Ryd(3d)	0.014140332	0.619794222 Hartree
16	P1 Ryd(3d)	0.013071109	0.633649480 Hartree
17	P1 Ryd(3d)	0.013071109	0.633649480 Hartree
18	P1 Ryd(3d)	0.014140332	0.619794222 Hartree
19	P1 Ryd(3d)	0.007246764	0.595529073 Hartree
20	Cl2 Cor(1S)	1.999999918	-100.544024792 Hartree
21	Cl2 Cor(2S)	1.999812975	-10.251931300 Hartree
22	Cl2 Val(3S)	1.913002292	-1.043913096 Hartree
23	Cl2 Ryd(4S)	0.000358398	0.646104401 Hartree
24	Cl2 Ryd(5S)	0.000000541	4.175221227 Hartree
25	Cl2 Cor(2p)	1.999993172	-7.244841220 Hartree
26	Cl2 Val(3p)	1.930470684	-0.351904234 Hartree
27	Cl2 Ryd(4p)	0.000173185	0.478743116 Hartree
28	Cl2 Cor(2p)	1.999955466	-7.251033791 Hartree
29	Cl2 Val(3p)	1.548671339	-0.357322715 Hartree
30	Cl2 Ryd(4p)	0.000759070	0.498970102 Hartree
31	Cl2 Cor(2p)	1.999982921	-7.245886292 Hartree
32	Cl2 Val(3p)	1.859517732	-0.352423982 Hartree
33	Cl2 Ryd(4p)	0.000717958	0.478310770 Hartree
34	Cl2 Ryd(3d)	0.001308300	0.842385517 Hartree
35	Cl2 Ryd(3d)	0.000355911	0.842082053 Hartree
36	Cl2 Ryd(3d)	0.003237533	0.901292276 Hartree
37	Cl2 Ryd(3d)	0.003031595	0.901596613 Hartree
38	Cl2 Ryd(3d)	0.001157982	0.848823753 Hartree
39	Cl3 Cor(1S)	1.999999918	-100.544024792 Hartree
40	Cl3 Cor(2S)	1.999812975	-10.251931300 Hartree
41	Cl3 Val(3S)	1.913002292	-1.043913096 Hartree
42	Cl3 Ryd(4S)	0.000358398	0.646104401 Hartree
43	Cl3 Ryd(5S)	0.000000541	4.175221227 Hartree
44	Cl3 Cor(2p)	1.999964892	-7.249485648 Hartree
45	Cl3 Val(3p)	1.644121175	-0.355968094 Hartree
46	Cl3 Ryd(4p)	0.000612599	0.493913356 Hartree
47	Cl3 Cor(2p)	1.999983746	-7.246389362 Hartree
48	Cl3 Val(3p)	1.835020848	-0.353258854 Hartree
49	Cl3 Ryd(4p)	0.000319657	0.483799863 Hartree
50	Cl3 Cor(2p)	1.999982921	-7.245886292 Hartree
51	Cl3 Val(3p)	1.859517732	-0.352423982 Hartree
52	Cl3 Ryd(4p)	0.000717958	0.478310770 Hartree
53	Cl3 Ryd(3d)	0.002600771	0.886793839 Hartree
54	Cl3 Ryd(3d)	0.002517128	0.886489721 Hartree
55	Cl3 Ryd(3d)	0.001076316	0.856884609 Hartree
56	Cl3 Ryd(3d)	0.001739123	0.857188291 Hartree
57	Cl3 Ryd(3d)	0.001157982	0.848823753 Hartree
58	Cl4 Cor(1S)	1.999999918	-100.544024792 Hartree
59	Cl4 Cor(2S)	1.999812975	-10.251931300 Hartree
60	Cl4 Val(3S)	1.913002292	-1.043913096 Hartree
61	Cl4 Ryd(4S)	0.000358398	0.646104401 Hartree
62	Cl4 Ryd(5S)	0.000000541	4.175221227 Hartree
63	Cl4 Cor(2p)	1.999964892	-7.249485648 Hartree
64	Cl4 Val(3p)	1.644121175	-0.355968094 Hartree
65	Cl4 Ryd(4p)	0.000612599	0.493913356 Hartree
66	Cl4 Cor(2p)	1.999983746	-7.246389362 Hartree
67	Cl4 Val(3p)	1.835020848	-0.353258854 Hartree
68	Cl4 Ryd(4p)	0.000319657	0.483799863 Hartree
69	Cl4 Cor(2p)	1.999982921	-7.245886292 Hartree
70	Cl4 Val(3p)	1.859517732	-0.352423982 Hartree
71	Cl4 Ryd(4p)	0.000717958	0.478310770 Hartree
72	Cl4 Ryd(3d)	0.002600771	0.886793839 Hartree
73	Cl4 Ryd(3d)	0.002517128	0.886489721 Hartree
74	Cl4 Ryd(3d)	0.001076316	0.856884609 Hartree
75	Cl4 Ryd(3d)	0.001739123	0.857188291 Hartree
76	Cl4 Ryd(3d)	0.001157982	0.848823753 Hartree

Natural Hybrid Orbitals

Display Range		- / 76
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)P1(Cl2) 1s(7.72%)p11.72(90.39%)d0.25(1.89%)	0.715979559	-0.230793239 Hartree
2	BD(1)Cl2(P1) 2s(13.45%)p6.41(86.19%)d0.03(0.37%)	1.386117044	-0.436869498 Hartree
3	BD(1)P1(Cl3) 1s(7.72%)p11.72(90.39%)d0.25(1.89%)	0.715979559	-0.230793239 Hartree
4	BD(1)Cl3(P1) 3s(13.45%)p6.41(86.19%)d0.03(0.37%)	1.386117044	-0.436869498 Hartree
5	BD(1)P1(Cl4) 1s(7.72%)p11.72(90.39%)d0.25(1.89%)	0.715979559	-0.230793239 Hartree
6	BD(1)Cl4(P1) 4s(13.45%)p6.41(86.19%)d0.03(0.37%)	1.386117044	-0.436869498 Hartree
7	CR(1)P1 s(100.00%)	1.999999552	-76.830111742 Hartree
8	CR(2)P1 s(100.00%)	1.999844745	-7.006843391 Hartree
9	CR(3)P1 s(0.00%)p1.00(100.00%)	1.999981287	-4.853063699 Hartree
10	CR(4)P1 s(0.00%)p1.00(100.00%)	1.999981287	-4.853063699 Hartree
11	CR(5)P1 s(0.00%)p1.00(100.00%)	1.999983497	-4.849098806 Hartree
12	CR(1)Cl2 s(100.00%)	1.999999918	-100.544026969 Hartree
13	CR(2)Cl2 s(100.00%)p0.00(0.00%)	1.999812236	-10.252461917 Hartree
14	CR(3)Cl2 s(0.00%)p1.00(100.00%)	1.999993168	-7.244846742 Hartree
15	CR(4)Cl2 s(0.00%)p1.00(100.00%)	1.999955263	-7.251012276 Hartree
16	CR(5)Cl2 s(0.00%)p1.00(100.00%)	1.999982859	-7.245899409 Hartree
17	CR(1)Cl3 s(100.00%)	1.999999918	-100.544026969 Hartree
18	CR(2)Cl3 s(100.00%)p0.00(0.00%)	1.999812236	-10.252461917 Hartree
19	CR(3)Cl3 s(0.00%)p1.00(100.00%)	1.999964739	-7.249470893 Hartree
20	CR(4)Cl3 s(0.00%)p1.00(100.00%)	1.999983692	-7.246388126 Hartree
21	CR(5)Cl3 s(0.00%)p1.00(100.00%)	1.999982859	-7.245899409 Hartree
22	CR(1)Cl4 s(100.00%)	1.999999918	-100.544026969 Hartree
23	CR(2)Cl4 s(100.00%)p0.00(0.00%)	1.999812236	-10.252461917 Hartree
24	CR(3)Cl4 s(0.00%)p1.00(100.00%)	1.999964739	-7.249470893 Hartree
25	CR(4)Cl4 s(0.00%)p1.00(100.00%)	1.999983692	-7.246388126 Hartree
26	CR(5)Cl4 s(0.00%)p1.00(100.00%)	1.999982859	-7.245899409 Hartree
27	LP(1)P1 s(78.31%)p0.28(21.68%)d0.00(0.01%)	1.996769767	-0.560020589 Hartree
28	LP(1)Cl2 s(83.49%)p0.20(16.50%)d0.00(0.01%)	1.997213491	-0.938998850 Hartree
29	LP(2)Cl2 s(3.04%)p31.90(96.91%)d0.02(0.06%)	1.944643217	-0.372854420 Hartree
30	LP(3)Cl2 s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.931797473	-0.352116281 Hartree
31	LP(1)Cl3 s(83.49%)p0.20(16.50%)d0.00(0.01%)	1.997213491	-0.938998850 Hartree
32	LP(2)Cl3 s(3.04%)p31.90(96.91%)d0.02(0.06%)	1.944643217	-0.372854420 Hartree
33	LP(3)Cl3 s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.931797473	-0.352116281 Hartree
34	LP(1)Cl4 s(83.49%)p0.20(16.50%)d0.00(0.01%)	1.997213491	-0.938998850 Hartree
35	LP(2)Cl4 s(3.04%)p31.90(96.91%)d0.02(0.06%)	1.944643217	-0.372854420 Hartree
36	LP(3)Cl4 s(0.00%)p1.00(99.94%)d0.00(0.06%)	1.931797473	-0.352116281 Hartree
37	RY*(1)P1 s(0.00%)p1.00(37.62%)d1.66(62.38%)	0.019461742	0.418387182 Hartree
38	RY*(2)P1 s(0.00%)p1.00(37.62%)d1.66(62.38%)	0.019461742	0.418387182 Hartree
39	RY*(3)P1 s(34.50%)p0.02(0.72%)d1.88(64.78%)	0.010996924	0.440487863 Hartree
40	RY*(4)P1 s(0.00%)p1.00(12.00%)d7.33(88.00%)	0.006465672	0.526854591 Hartree
41	RY*(5)P1 s(0.00%)p1.00(12.00%)d7.33(88.00%)	0.006465672	0.526854591 Hartree
42	RY*(6)P1 s(19.17%)p3.54(67.88%)d0.68(12.95%)	0.001738809	0.360613072 Hartree
43	RY*(7)P1 s(0.00%)p1.00(53.22%)d0.88(46.78%)	0.001692001	0.556817139 Hartree
44	RY*(8)P1 s(0.00%)p1.00(53.22%)d0.88(46.78%)	0.001692001	0.556817139 Hartree
45	RY*(9)P1 s(44.92%)p0.73(32.87%)d0.49(22.21%)	0.000004500	0.387811317 Hartree
46	RY*(10)P1 s(99.96%)p0.00(0.00%)d0.00(0.04%)	0.000001205	3.268766643 Hartree
47	RY*(1)Cl2 s(4.08%)p9.63(39.23%)d13.91(56.69%)	0.001571696	0.622580075 Hartree
48	RY*(2)Cl2 s(24.70%)p1.01(25.00%)d2.04(50.30%)	0.000759242	0.665411985 Hartree
49	RY*(3)Cl2 s(0.00%)p1.00(6.00%)d15.66(94.00%)	0.000403204	0.793030949 Hartree
50	RY*(4)Cl2 s(24.00%)p0.61(14.65%)d2.56(61.35%)	0.000120350	0.988426665 Hartree
51	RY*(5)Cl2 s(0.00%)p1.00(72.38%)d0.38(27.62%)	0.000106799	0.598296409 Hartree
52	RY*(6)Cl2 s(1.13%)p33.58(37.91%)d53.98(60.96%)	0.000023344	0.739460026 Hartree
53	RY*(7)Cl2 s(0.00%)p1.00(21.68%)d3.61(78.32%)	0.000000608	0.772100897 Hartree
54	RY*(8)Cl2 s(36.30%)p0.99(36.01%)d0.76(27.69%)	0.000004227	0.569698661 Hartree
55	RY*(9)Cl2 s(99.76%)p0.00(0.05%)d0.00(0.20%)	0.000000274	4.173982663 Hartree
56	RY*(10)Cl2 s(10.05%)p4.73(47.56%)d4.22(42.39%)	0.000002560	0.686346441 Hartree
57	RY*(1)Cl3 s(4.08%)p9.63(39.23%)d13.91(56.69%)	0.001571696	0.622580075 Hartree
58	RY*(2)Cl3 s(24.70%)p1.01(25.00%)d2.04(50.30%)	0.000759242	0.665411985 Hartree
59	RY*(3)Cl3 s(0.00%)p1.00(6.00%)d15.66(94.00%)	0.000403204	0.793030949 Hartree
60	RY*(4)Cl3 s(24.00%)p0.61(14.65%)d2.56(61.35%)	0.000120350	0.988426665 Hartree
61	RY*(5)Cl3 s(0.00%)p1.00(72.38%)d0.38(27.62%)	0.000106799	0.598296409 Hartree
62	RY*(6)Cl3 s(3.12%)p25.21(78.53%)d5.89(18.36%)	0.000013456	0.634972574 Hartree
63	RY*(7)Cl3 s(7.36%)p0.34(2.50%)d12.25(90.14%)	0.000012878	0.874583839 Hartree
64	RY*(8)Cl3 s(2.82%)p8.44(23.84%)d25.98(73.34%)	0.000000774	0.757433732 Hartree
65	RY*(9)Cl3 s(35.27%)p1.08(38.03%)d0.76(26.69%)	0.000003681	0.596680259 Hartree
66	RY*(10)Cl3 s(98.67%)p0.00(0.31%)d0.01(1.02%)	0.000000224	4.077918284 Hartree
67	RY*(1)Cl4 s(4.08%)p9.63(39.23%)d13.91(56.69%)	0.001571696	0.622580075 Hartree
68	RY*(2)Cl4 s(24.70%)p1.01(25.00%)d2.04(50.30%)	0.000759242	0.665411985 Hartree
69	RY*(3)Cl4 s(0.00%)p1.00(6.00%)d15.66(94.00%)	0.000403204	0.793030949 Hartree
70	RY*(4)Cl4 s(24.00%)p0.61(14.65%)d2.56(61.35%)	0.000120350	0.988426665 Hartree
71	RY*(5)Cl4 s(0.00%)p1.00(72.38%)d0.38(27.62%)	0.000106799	0.598296409 Hartree
72	RY*(6)Cl4 s(3.12%)p25.21(78.53%)d5.89(18.36%)	0.000013456	0.634972571 Hartree
73	RY*(7)Cl4 s(7.36%)p0.34(2.50%)d12.25(90.14%)	0.000012878	0.874583836 Hartree
74	RY*(8)Cl4 s(2.82%)p8.44(23.84%)d25.98(73.34%)	0.000000774	0.757433732 Hartree
75	RY*(9)Cl4 s(35.27%)p1.08(38.03%)d0.76(26.69%)	0.000003681	0.596680259 Hartree
76	RY*(10)Cl4 s(98.67%)p0.00(0.31%)d0.01(1.02%)	0.000000224	4.077918288 Hartree

Natural Bond Orbitals

Display Range		- / 76
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)P1-Cl2	1, 2	1.992664813	-0.645787129 Hartree
2	BD(1)P1-Cl3	3, 4	1.992664813	-0.645787129 Hartree
3	BD(1)P1-Cl4	5, 6	1.992664813	-0.645787129 Hartree
4	CR(1)P1	7	1.999999552	-76.830111742 Hartree
5	CR(2)P1	8	1.999844745	-7.006843391 Hartree
6	CR(3)P1	9	1.999981287	-4.853063699 Hartree
7	CR(4)P1	10	1.999981287	-4.853063699 Hartree
8	CR(5)P1	11	1.999983497	-4.849098806 Hartree
9	CR(1)Cl2	12	1.999999918	-100.544026969 Hartree
10	CR(2)Cl2	13	1.999812235	-10.252461912 Hartree
11	CR(3)Cl2	14	1.999993167	-7.244846738 Hartree
12	CR(4)Cl2	15	1.999955263	-7.251012276 Hartree
13	CR(5)Cl2	16	1.999982859	-7.245899409 Hartree
14	CR(1)Cl3	17	1.999999918	-100.544026969 Hartree
15	CR(2)Cl3	18	1.999812235	-10.252461912 Hartree
16	CR(3)Cl3	19	1.999964739	-7.249470893 Hartree
17	CR(4)Cl3	20	1.999983692	-7.246388126 Hartree
18	CR(5)Cl3	21	1.999982859	-7.245899409 Hartree
19	CR(1)Cl4	22	1.999999918	-100.544026969 Hartree
20	CR(2)Cl4	23	1.999812235	-10.252461912 Hartree
21	CR(3)Cl4	24	1.999964739	-7.249470893 Hartree
22	CR(4)Cl4	25	1.999983692	-7.246388126 Hartree
23	CR(5)Cl4	26	1.999982859	-7.245899409 Hartree
24	LP(1)P1	27	1.996769767	-0.560020589 Hartree
25	LP(1)Cl2	28	1.997213490	-0.938998849 Hartree
26	LP(2)Cl2	29	1.944643217	-0.372854420 Hartree
27	LP(3)Cl2	30	1.931797472	-0.352116281 Hartree
28	LP(1)Cl3	31	1.997213490	-0.938998849 Hartree
29	LP(2)Cl3	32	1.944643217	-0.372854420 Hartree
30	LP(3)Cl3	33	1.931797473	-0.352116281 Hartree
31	LP(1)Cl4	34	1.997213490	-0.938998849 Hartree
32	LP(2)Cl4	35	1.944643217	-0.372854420 Hartree
33	LP(3)Cl4	36	1.931797473	-0.352116281 Hartree
34	RY*(1)P1	37	0.019461742	0.418387182 Hartree
35	RY*(2)P1	38	0.019461742	0.418387182 Hartree
36	RY*(3)P1	39	0.010996924	0.440487863 Hartree
37	RY*(4)P1	40	0.006465672	0.526854591 Hartree
38	RY*(5)P1	41	0.006465672	0.526854591 Hartree
39	RY*(6)P1	42	0.001738809	0.360613072 Hartree
40	RY*(7)P1	43	0.001692001	0.556817139 Hartree
41	RY*(8)P1	44	0.001692001	0.556817139 Hartree
42	RY*(9)P1	45	0.000004500	0.387811317 Hartree
43	RY*(10)P1	46	0.000001205	3.268766643 Hartree
44	RY*(1)Cl2	47	0.001571696	0.622580075 Hartree
45	RY*(2)Cl2	48	0.000759242	0.665411985 Hartree
46	RY*(3)Cl2	49	0.000403204	0.793030949 Hartree
47	RY*(4)Cl2	50	0.000120350	0.988426665 Hartree
48	RY*(5)Cl2	51	0.000106799	0.598296409 Hartree
49	RY*(6)Cl2	52	0.000023344	0.739460026 Hartree
50	RY*(7)Cl2	53	0.000000608	0.772100897 Hartree
51	RY*(8)Cl2	54	0.000004227	0.569698661 Hartree
52	RY*(9)Cl2	55	0.000000274	4.173982663 Hartree
53	RY*(10)Cl2	56	0.000002560	0.686346441 Hartree
54	RY*(1)Cl3	57	0.001571696	0.622580075 Hartree
55	RY*(2)Cl3	58	0.000759242	0.665411985 Hartree
56	RY*(3)Cl3	59	0.000403204	0.793030949 Hartree
57	RY*(4)Cl3	60	0.000120350	0.988426665 Hartree
58	RY*(5)Cl3	61	0.000106799	0.598296409 Hartree
59	RY*(6)Cl3	62	0.000013456	0.634972574 Hartree
60	RY*(7)Cl3	63	0.000012878	0.874583839 Hartree
61	RY*(8)Cl3	64	0.000000774	0.757433732 Hartree
62	RY*(9)Cl3	65	0.000003681	0.596680259 Hartree
63	RY*(10)Cl3	66	0.000000224	4.077918284 Hartree
64	RY*(1)Cl4	67	0.001571696	0.622580075 Hartree
65	RY*(2)Cl4	68	0.000759242	0.665411985 Hartree
66	RY*(3)Cl4	69	0.000403204	0.793030949 Hartree
67	RY*(4)Cl4	70	0.000120350	0.988426665 Hartree
68	RY*(5)Cl4	71	0.000106799	0.598296409 Hartree
69	RY*(6)Cl4	72	0.000013456	0.634972571 Hartree
70	RY*(7)Cl4	73	0.000012878	0.874583836 Hartree
71	RY*(8)Cl4	74	0.000000774	0.757433732 Hartree
72	RY*(9)Cl4	75	0.000003681	0.596680259 Hartree
73	RY*(10)Cl4	76	0.000000224	4.077918288 Hartree
74	BD*(1)P1-Cl2		0.109431790	-0.021875608 Hartree
75	BD*(1)P1-Cl3		0.109431790	-0.021875608 Hartree
76	BD*(1)P1-Cl4		0.109431790	-0.021875608 Hartree

Quote

THE 2ND LAW OF THERMODYNAMICS HAS THE SAME DEGREE OF TRUTH AS THE STATEMENT THAT IF YOU THROW A TUMBLERFULL OF WATER INTO THE SEA, YOU CANNOT GET THE SAME TUMBLERFULL OF WATER OUT AGAIN. - J.C. MAXWELL, LETTER TO LORD RAYLEIGH, DECEMBER 6,1870