WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method	B3LYP
Stoichiometry	CO2
Symmetry	D*H
Basis	6-311+G(2d,p)
RB3LYP Energy	-188.650639643 Hartree
Dipole Moment	0.0000 Debye
Server	class (387321)
CPU time	69 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.0000000	0.00000000000
b	11.7354130	0.39145124191
c	11.7354130	0.39145124191

Atom	Symbol	Charge
1	C	0.431797
2	O	-0.215898
3	O	-0.215898

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	SGU	2	-	-19.21487
2	SGG	2	-	-19.21485
3	SGG	2	-	-10.36872
4	SGG	2	-	-1.1761
5	SGU	2	-	-1.13662
6	SGG	2	-	-0.57602
7	SGU	2	-	-0.53435
8	PIU	2	-	-0.52904
9	PIU	2	-	-0.52904
10	PIG	2	-	-0.38545
11	PIG	2	-	-0.38545
12	SGG	0	-	-0.01915
13	PIU	0	-	0.01864
14	PIU	0	-	0.01864
15	SGU	0	-	0.05184
16	PIU	0	-	0.05386
17	PIU	0	-	0.05386
18	SGG	0	-	0.13492
19	SGG	0	-	0.17602
20	PIG	0	-	0.18613
21	PIG	0	-	0.18613
22	SGU	0	-	0.2359
23	PIU	0	-	0.25578
24	PIU	0	-	0.25578
25	SGU	0	-	0.27854
26	SGG	0	-	0.32714
27	PIU	0	-	0.53598
28	PIU	0	-	0.53598
29	DLTG	0	-	0.57029
30	DLTG	0	-	0.57029
31	SGU	0	-	0.66474
32	SGG	0	-	0.70155
33	SGU	0	-	0.84801
34	PIG	0	-	0.92651
35	PIG	0	-	0.92651
36	SGG	0	-	0.95325
37	PIG	0	-	0.99683
38	PIG	0	-	0.99683
39	PIU	0	-	1.09192
40	PIU	0	-	1.09192
41	SGU	0	-	1.1235
42	SGG	0	-	1.27914
43	DLTU	0	-	1.39875
44	DLTU	0	-	1.39875
45	DLTG	0	-	1.6469
46	DLTG	0	-	1.6469
47	SGU	0	-	1.82992
48	PIU	0	-	1.89111
49	PIU	0	-	1.89111
50	SGG	0	-	2.01205
51	PIG	0	-	2.35504
52	PIG	0	-	2.35504
53	SGG	0	-	2.5283
54	SGU	0	-	2.63767
55	PIU	0	-	2.72732
56	PIU	0	-	2.72732
57	DLTG	0	-	3.11194
58	DLTG	0	-	3.11194
59	PIG	0	-	3.35412
60	PIG	0	-	3.35412
61	SGU	0	-	3.36897
62	SGG	0	-	3.8711
63	PIU	0	-	4.93951
64	PIU	0	-	4.93951
65	PIG	0	-	5.02404
66	PIG	0	-	5.02404
67	SGG	0	-	5.73773
68	SGU	0	-	5.91959
69	DLTU	0	-	6.62041
70	DLTU	0	-	6.62041
71	DLTG	0	-	6.73007
72	DLTG	0	-	6.73007
73	PIU	0	-	6.89419
74	PIU	0	-	6.89419
75	SGU	0	-	7.15163
76	PIG	0	-	7.22782
77	PIG	0	-	7.22782
78	SGG	0	-	7.39607
79	SGG	0	-	24.20153
80	SGU	0	-	49.91789
81	SGG	0	-	49.93581
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	1.01403
2	O	-0.50701
3	O	-0.50701

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	C1 Cor(1S)	1.999711301	-	-10.255772458
2	C1 Val(2S)	0.648961841	-	-0.116784822
3	C1 Ryd(5S)	0.000128861	-	16.866509936
4	C1 Ryd(3S)	0.000056862	-	0.560877548
5	C1 Ryd(4S)	-0.000000000	-	4.814553050
6	C1 Val(2p)	0.756460820	-	-0.162889048
7	C1 Ryd(3p)	0.000747212	-	0.803000298
8	C1 Ryd(5p)	0.000143300	-	1.399946052
9	C1 Ryd(4p)	0.000000005	-	1.069510532
10	C1 Val(2p)	0.756460820	-	-0.162889048
11	C1 Ryd(3p)	0.000747212	-	0.803000298
12	C1 Ryd(5p)	0.000143300	-	1.399946052
13	C1 Ryd(4p)	0.000000005	-	1.069510532
14	C1 Val(2p)	0.791107346	-	0.072580145
15	C1 Ryd(4p)	0.024311801	-	1.144368445
16	C1 Ryd(5p)	0.000719461	-	1.433642822
17	C1 Ryd(3p)	0.000017765	-	1.039508238
18	C1 Ryd(4d)	0.000000000	-	2.450022520
19	C1 Ryd(3d)	0.000000000	-	1.543865181
20	C1 Ryd(4d)	0.002498259	-	3.296843327
21	C1 Ryd(3d)	0.000001284	-	2.508091451
22	C1 Ryd(4d)	0.002498259	-	3.296843327
23	C1 Ryd(3d)	0.000001284	-	2.508091451
24	C1 Ryd(4d)	-0.000000000	-	2.450022529
25	C1 Ryd(3d)	0.000000000	-	1.543865495
26	C1 Ryd(4d)	0.001180398	-	4.148928603
27	C1 Ryd(3d)	0.000074865	-	2.716453126
28	O2 Cor(1S)	1.999713033	-	-18.942715748
29	O2 Val(2S)	1.720639578	-	-0.971172383
30	O2 Ryd(4S)	0.000409194	-	2.620787445
31	O2 Ryd(3S)	0.000078967	-	1.189683845
32	O2 Ryd(5S)	0.000000115	-	49.105833049
33	O2 Val(2p)	1.611136969	-	-0.342054727
34	O2 Ryd(4p)	0.001173406	-	0.694059150
35	O2 Ryd(5p)	0.000002101	-	4.848542846
36	O2 Ryd(3p)	0.000000146	-	0.692258123
37	O2 Val(2p)	1.611136969	-	-0.342054727
38	O2 Ryd(4p)	0.001173406	-	0.694059150
39	O2 Ryd(5p)	0.000002101	-	4.848542846
40	O2 Ryd(3p)	0.000000146	-	0.692258123
41	O2 Val(2p)	1.535050746	-	-0.370480236
42	O2 Ryd(3p)	0.000689550	-	0.866537499
43	O2 Ryd(5p)	0.000072631	-	5.477783581
44	O2 Ryd(4p)	0.000023697	-	1.098674803
45	O2 Ryd(3d)	0.000000000	-	1.417687100
46	O2 Ryd(4d)	0.000000000	-	6.624554964
47	O2 Ryd(3d)	0.007676523	-	1.603677226
48	O2 Ryd(4d)	0.000085415	-	6.828422057
49	O2 Ryd(3d)	0.007676523	-	1.603677226
50	O2 Ryd(4d)	0.000085415	-	6.828422057
51	O2 Ryd(3d)	0.000000000	-	1.417687105
52	O2 Ryd(4d)	-0.000000000	-	6.624554951
53	O2 Ryd(3d)	0.010143273	-	2.231553044
54	O2 Ryd(4d)	0.000043965	-	7.002156472
55	O3 Cor(1S)	1.999713033	-	-18.942715748
56	O3 Val(2S)	1.720639578	-	-0.971172383
57	O3 Ryd(4S)	0.000409194	-	2.620787444
58	O3 Ryd(3S)	0.000078967	-	1.189683845
59	O3 Ryd(5S)	0.000000115	-	49.105833049
60	O3 Val(2p)	1.611136969	-	-0.342054727
61	O3 Ryd(4p)	0.001173406	-	0.694059150
62	O3 Ryd(5p)	0.000002101	-	4.848542846
63	O3 Ryd(3p)	0.000000146	-	0.692258123
64	O3 Val(2p)	1.611136969	-	-0.342054727
65	O3 Ryd(4p)	0.001173406	-	0.694059150
66	O3 Ryd(5p)	0.000002101	-	4.848542846
67	O3 Ryd(3p)	0.000000146	-	0.692258123
68	O3 Val(2p)	1.535050746	-	-0.370480236
69	O3 Ryd(3p)	0.000689550	-	0.866537499
70	O3 Ryd(5p)	0.000072631	-	5.477783580
71	O3 Ryd(4p)	0.000023697	-	1.098674803
72	O3 Ryd(3d)	0.000000000	-	1.417687100
73	O3 Ryd(4d)	0.000000000	-	6.624554964
74	O3 Ryd(3d)	0.007676523	-	1.603677226
75	O3 Ryd(4d)	0.000085415	-	6.828422057
76	O3 Ryd(3d)	0.007676523	-	1.603677226
77	O3 Ryd(4d)	0.000085415	-	6.828422057
78	O3 Ryd(3d)	0.000000000	-	1.417687105
79	O3 Ryd(4d)	-0.000000000	-	6.624554951
80	O3 Ryd(3d)	0.010143273	-	2.231553044
81	O3 Ryd(4d)	0.000043965	-	7.002156472

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1(O2) 1s(49.91%)p1.00(50.00%)d0.00(0.09%)	0.722179141	-	0.001057278
2	BD(1)O2(C1) 2s(37.04%)p1.68(62.33%)d0.02(0.63%)	1.290662494	-	-0.528063563
3	BD(2)C1(O2) 1s(0.00%)p1.00(99.80%)d0.00(0.20%)	0.755805969	-	-0.161332468
4	BD(2)O2(C1) 2s(0.00%)p1.00(99.57%)d0.00(0.43%)	1.618617527	-	-0.345394137
5	BD(3)C1(O2) 1s(0.00%)p1.00(99.80%)d0.00(0.20%)	0.755805969	-	-0.161332468
6	BD(3)O2(C1) 2s(0.00%)p1.00(99.57%)d0.00(0.43%)	1.618617527	-	-0.345394137
7	BD(1)C1(O3) 1s(49.91%)p1.00(50.00%)d0.00(0.09%)	0.722179141	-	0.001057278
8	BD(1)O3(C1) 3s(37.04%)p1.68(62.33%)d0.02(0.63%)	1.290662494	-	-0.528063563
9	CR(1)C1 s(100.00%)	1.999711301	-	-10.255791469
10	CR(1)O2 s(100.00%)p0.00(0.00%)	1.999710896	-	-18.944436668
11	CR(1)O3 s(100.00%)p0.00(0.00%)	1.999710896	-	-18.944436668
12	LP(1)O2 s(62.90%)p0.59(37.00%)d0.00(0.09%)	1.976107595	-	-0.805059530
13	LP(1)O3 s(62.90%)p0.59(37.00%)d0.00(0.09%)	1.976107595	-	-0.805059530
14	LP(2)O3 s(0.00%)p1.00(99.54%)d0.00(0.46%)	1.618696808	-	-0.345524739
15	LP(3)O3 s(0.00%)p1.00(99.54%)d0.00(0.46%)	1.618696808	-	-0.345524739
16	RY*(1)C1 s(0.00%)p1.00(100.00%)	0.021746076	-	1.273036555
17	RY*(2)C1 s(0.00%)p1.00(0.20%)d99.99(99.80%)	0.004044912	-	3.274381300
18	RY*(3)C1 s(0.00%)p1.00(0.20%)d99.99(99.80%)	0.004044912	-	3.274381300
19	RY*(4)C1 s(34.54%)p0.00(0.00%)d1.89(65.46%)	0.000372018	-	11.330089609
20	RY*(5)C1 s(96.95%)p0.00(0.00%)d0.03(3.05%)	0.000061146	-	2.208487399
21	RY*(6)C1 s(0.00%)p1.00(100.00%)	0.000019752	-	0.477821952
22	RY*(7)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	0.808946737
23	RY*(8)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	1.399504142
24	RY*(9)C1 s(0.00%)p1.00(100.00%)	-0.000000000	-	1.069512096
25	RY*(10)C1 s(63.79%)p0.00(0.00%)d0.57(36.21%)	0.000000035	-	7.307063081
26	RY*(11)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	1.851649383
27	RY*(12)C1 s(100.00%)	-0.000000000	-	4.814553048
28	RY*(13)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	2.450022520
29	RY*(14)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.543865181
30	RY*(15)C1 s(0.00%)p1.00(100.00%)	0.000000000	-	0.808946737
31	RY*(16)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	2.523490805
32	RY*(17)C1 s(0.00%)p1.00(100.00%)	-0.000000000	-	1.399504142
33	RY*(18)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	2.523490805
34	RY*(19)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	-	2.450022529
35	RY*(20)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.543865495
36	RY*(21)C1 s(0.00%)p1.00(100.00%)	-0.000000000	-	1.069512096
37	RY*(22)C1 s(4.88%)p0.00(0.00%)d19.49(95.12%)	0.000001892	-	3.415840519
38	RY*(1)O2 s(0.00%)p1.00(82.82%)d0.21(17.18%)	0.001457032	-	1.183180208
39	RY*(2)O2 s(0.00%)p1.00(82.82%)d0.21(17.18%)	0.001457032	-	1.183180208
40	RY*(3)O2 s(35.71%)p0.43(15.39%)d1.37(48.90%)	0.000186775	-	2.134771989
41	RY*(4)O2 s(11.33%)p5.76(65.29%)d2.06(23.38%)	0.000153720	-	1.268652277
42	RY*(5)O2 s(5.07%)p16.09(81.54%)d2.64(13.39%)	0.000040163	-	3.276326372
43	RY*(6)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.699771824
44	RY*(7)O2 s(52.81%)p0.63(33.11%)d0.27(14.07%)	0.000002068	-	2.451760927
45	RY*(8)O2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	-0.000000000	-	4.836447577
46	RY*(9)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	-0.000000000	-	0.699771824
47	RY*(10)O2 s(99.76%)p0.00(0.18%)d0.00(0.06%)	0.000000001	-	48.960331385
48	RY*(11)O2 s(92.04%)p0.06(5.55%)d0.03(2.41%)	0.000000449	-	2.611152464
49	RY*(12)O2 s(1.92%)p41.70(79.91%)d9.48(18.17%)	0.000000267	-	2.473030020
50	RY*(13)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.417687100
51	RY*(14)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	6.624554964
52	RY*(15)O2 s(0.00%)p1.00(12.46%)d7.03(87.54%)	0.000000000	-	1.416920066
53	RY*(16)O2 s(0.00%)p1.00(5.18%)d18.32(94.82%)	-0.000000000	-	6.533979138
54	RY*(17)O2 s(0.00%)p1.00(12.46%)d7.03(87.54%)	-0.000000000	-	1.416920066
55	RY*(18)O2 s(0.00%)p1.00(5.18%)d18.32(94.82%)	-0.000000000	-	6.533979138
56	RY*(19)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.417687105
57	RY*(20)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	-	6.624554951
58	RY*(21)O2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000000	-	4.836447577
59	RY*(22)O2 s(1.42%)p13.85(19.70%)d55.46(78.88%)	0.000000321	-	6.410175698
60	RY*(1)O3 s(0.00%)p1.00(82.85%)d0.21(17.15%)	0.001377751	-	1.183310810
61	RY*(2)O3 s(0.00%)p1.00(82.85%)d0.21(17.15%)	0.001377751	-	1.183310810
62	RY*(3)O3 s(35.71%)p0.43(15.39%)d1.37(48.90%)	0.000186775	-	2.134771989
63	RY*(4)O3 s(11.33%)p5.76(65.29%)d2.06(23.38%)	0.000153720	-	1.268652277
64	RY*(5)O3 s(5.07%)p16.09(81.54%)d2.64(13.39%)	0.000040163	-	3.276326374
65	RY*(6)O3 s(99.76%)p0.00(0.18%)d0.00(0.06%)	0.000000001	-	48.959116366
66	RY*(7)O3 s(91.87%)p0.08(7.53%)d0.01(0.60%)	0.000000026	-	2.177268107
67	RY*(8)O3 s(0.00%)p1.00(99.98%)d0.00(0.02%)	-0.000000000	-	4.836447590
68	RY*(9)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	-0.000000000	-	0.699771830
69	RY*(10)O3 s(38.69%)p1.05(40.45%)d0.54(20.86%)	0.000002311	-	2.131306521
70	RY*(11)O3 s(17.34%)p4.71(81.62%)d0.06(1.04%)	0.000000698	-	3.269382509
71	RY*(12)O3 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000000	-	4.836447477
72	RY*(13)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.417687100
73	RY*(14)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	6.624554964
74	RY*(15)O3 s(0.00%)p1.00(12.46%)d7.03(87.54%)	0.000000000	-	1.416921574
75	RY*(16)O3 s(0.00%)p1.00(5.18%)d18.32(94.82%)	-0.000000000	-	6.533977725
76	RY*(17)O3 s(0.00%)p1.00(12.46%)d7.03(87.54%)	-0.000000000	-	1.416919651
77	RY*(18)O3 s(0.00%)p1.00(5.18%)d18.32(94.82%)	-0.000000000	-	6.533979534
78	RY*(19)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	-	1.417687105
79	RY*(20)O3 s(0.00%)p0.00(0.00%)d1.00(100.00%)	-0.000000000	-	6.624554951
80	RY*(21)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.699771830
81	RY*(22)O3 s(0.29%)p29.96(8.67%)d99.99(91.04%)	0.000000069	-	6.369376989

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)C1-O2	235, 236	1.997006512	-	-1.200848895
2	BD(2)C1-O2	237, 238	1.998622249	-	-0.472857723
3	BD(3)C1-O2	239, 240	1.998622249	-	-0.472857723
4	BD(1)C1-O3	241, 242	1.997006512	-	-1.200848895
5	CR(1)C1	243	1.999711301	-	-10.255791469
6	CR(1)O2	244	1.999710896	-	-18.944436668
7	CR(1)O3	245	1.999710895	-	-18.944436658
8	LP(1)O2	246	1.976107595	-	-0.805059530
9	LP(1)O3	247	1.976107594	-	-0.805059529
10	LP(2)O3	248	1.618696808	-	-0.345524739
11	LP(3)O3	249	1.618696808	-	-0.345524739
12	RY*(1)C1	250	0.021746076	-	1.273036555
13	RY*(2)C1	251	0.004044912	-	3.274381300
14	RY*(3)C1	252	0.004044912	-	3.274381300
15	RY*(4)C1	253	0.000372018	-	11.330089609
16	RY*(5)C1	254	0.000061146	-	2.208487399
17	RY*(6)C1	255	0.000019752	-	0.477821952
18	RY*(7)C1	256	0.000000000	-	0.808946737
19	RY*(8)C1	257	0.000000000	-	1.399504142
20	RY*(9)C1	258	-0.000000000	-	1.069512096
21	RY*(10)C1	259	0.000000035	-	7.307063081
22	RY*(11)C1	260	0.000000000	-	1.851649383
23	RY*(12)C1	261	-0.000000000	-	4.814553048
24	RY*(13)C1	262	0.000000000	-	2.450022520
25	RY*(14)C1	263	0.000000000	-	1.543865181
26	RY*(15)C1	264	0.000000000	-	0.808946737
27	RY*(16)C1	265	0.000000000	-	2.523490805
28	RY*(17)C1	266	0.000000000	-	1.399504142
29	RY*(18)C1	267	0.000000000	-	2.523490805
30	RY*(19)C1	268	-0.000000000	-	2.450022529
31	RY*(20)C1	269	0.000000000	-	1.543865495
32	RY*(21)C1	270	-0.000000000	-	1.069512096
33	RY*(22)C1	271	0.000001892	-	3.415840519
34	RY*(1)O2	272	0.001457032	-	1.183180208
35	RY*(2)O2	273	0.001457032	-	1.183180208
36	RY*(3)O2	274	0.000186775	-	2.134771989
37	RY*(4)O2	275	0.000153720	-	1.268652277
38	RY*(5)O2	276	0.000040163	-	3.276326372
39	RY*(6)O2	277	0.000000000	-	0.699771824
40	RY*(7)O2	278	0.000002068	-	2.451760927
41	RY*(8)O2	279	-0.000000000	-	4.836447577
42	RY*(9)O2	280	-0.000000000	-	0.699771824
43	RY*(10)O2	281	0.000000001	-	48.960331385
44	RY*(11)O2	282	0.000000449	-	2.611152464
45	RY*(12)O2	283	0.000000267	-	2.473030020
46	RY*(13)O2	284	0.000000000	-	1.417687100
47	RY*(14)O2	285	0.000000000	-	6.624554964
48	RY*(15)O2	286	0.000000000	-	1.416920066
49	RY*(16)O2	287	-0.000000000	-	6.533979138
50	RY*(17)O2	288	-0.000000000	-	1.416920066
51	RY*(18)O2	289	-0.000000000	-	6.533979138
52	RY*(19)O2	290	0.000000000	-	1.417687105
53	RY*(20)O2	291	-0.000000000	-	6.624554951
54	RY*(21)O2	292	0.000000000	-	4.836447577
55	RY*(22)O2	293	0.000000321	-	6.410175698
56	RY*(1)O3	294	0.001377751	-	1.183310810
57	RY*(2)O3	295	0.001377751	-	1.183310810
58	RY*(3)O3	296	0.000186775	-	2.134771989
59	RY*(4)O3	297	0.000153720	-	1.268652277
60	RY*(5)O3	298	0.000040163	-	3.276326374
61	RY*(6)O3	299	0.000000001	-	48.959116366
62	RY*(7)O3	300	0.000000026	-	2.177268107
63	RY*(8)O3	301	0.000000000	-	4.836447590
64	RY*(9)O3	302	-0.000000000	-	0.699771830
65	RY*(10)O3	303	0.000002311	-	2.131306521
66	RY*(11)O3	304	0.000000698	-	3.269382509
67	RY*(12)O3	305	0.000000000	-	4.836447477
68	RY*(13)O3	306	0.000000000	-	1.417687100
69	RY*(14)O3	307	0.000000000	-	6.624554964
70	RY*(15)O3	308	0.000000000	-	1.416921574
71	RY*(16)O3	309	-0.000000000	-	6.533977725
72	RY*(17)O3	310	-0.000000000	-	1.416919651
73	RY*(18)O3	311	-0.000000000	-	6.533979534
74	RY*(19)O3	312	0.000000000	-	1.417687105
75	RY*(20)O3	313	-0.000000000	-	6.624554951
76	RY*(21)O3	314	0.000000000	-	0.699771830
77	RY*(22)O3	315	0.000000069	-	6.369376989
78	BD*(1)C1-O2		0.015835122	-	0.673842610
79	BD*(2)C1-O2		0.375801247	-	-0.033868882
80	BD*(3)C1-O2		0.375801247	-	-0.033868882
81	BD*(1)C1-O3		0.015835122	-	0.673842610

WE HAVE SEEN THAT MAN ON THE AVERAGE DOES NOT LIVE ABOVE TWO-AND-TWENTY YEARS. DURING THESE TWO AND TWENTY YEARS HE IS LIABLE TO TWO AND TWENTY THOUSAND EVILS, MANY OF WHICH ARE INCURABLE. YET EVEN IN THIS DREADFUL STATE MEN STILL STRUT AND POSE ON THE STAGE OF LIFE. THEY MAKE LOVE AT THE RISK OF DESTRUCTION, INTRIGUE, CARRY ON WAR, AND FORM PROJECTS, JUST AS IF THEY WERE TO LIVE IN LUXURY AND HAPPINESS FOR A THOUSAND AGES. -- VOLTAIRE