WebMO Job Summary

Quantity	Value
Route	#N MP2/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C2H4
Symmetry	D2H
Basis	6-31G(d)
RHF Energy	-78.0309742595 Hartree
MP2 Energy	-78.285027464045 Hartree
Dipole Moment	0.0000 Debye
Server	batch (368883)
CPU time	1.4 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	146.9718994	4.90245486429
b	29.9121841	0.99776306247
c	24.8538502	0.82903520542

Atom	Symbol	Charge
1	C	-0.354284
2	C	-0.354284
3	H	0.177142
4	H	0.177142
5	H	0.177142
6	H	0.177142

Display Range		- / 38
Orbital	Symmetry	Occupancy	Energy	Actions
1	AG	2	-11.22983 Hartree
2	B1U	2	-11.22820 Hartree
3	AG	2	-1.02609 Hartree
4	B1U	2	-0.78799 Hartree
5	B2U	2	-0.63611 Hartree
6	AG	2	-0.58154 Hartree
7	B3G	2	-0.50275 Hartree
8	B3U	2	-0.36998 Hartree
9	B2G	0	0.17903 Hartree
10	AG	0	0.26438 Hartree
11	B2U	0	0.29152 Hartree
12	B1U	0	0.30702 Hartree
13	B3G	0	0.39054 Hartree
14	B1U	0	0.49062 Hartree
15	AG	0	0.66847 Hartree
16	B2U	0	0.76659 Hartree
17	B3U	0	0.77615 Hartree
18	AG	0	0.85235 Hartree
19	B2G	0	0.88992 Hartree
20	B1U	0	0.95201 Hartree
21	B2U	0	1.10961 Hartree
22	B3G	0	1.15606 Hartree
23	AG	0	1.20119 Hartree
24	B1U	0	1.21028 Hartree
25	B1U	0	1.33130 Hartree
26	B3G	0	1.47404 Hartree
27	B3U	0	1.74012 Hartree
28	B1G	0	1.82209 Hartree
29	AU	0	2.12954 Hartree
30	AG	0	2.19933 Hartree
31	B2U	0	2.31976 Hartree
32	AG	0	2.40014 Hartree
33	B1U	0	2.61802 Hartree
34	B2G	0	2.71021 Hartree
35	B3G	0	3.05068 Hartree
36	B1U	0	3.06430 Hartree
37	AG	0	4.51884 Hartree
38	B1U	0	4.67006 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.41600
2	C	-0.41600
3	H	0.20800
4	H	0.20800
5	H	0.20800
6	H	0.20800

Display Range		- / 38
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999200699	-11.083999568 Hartree
2	C1 Val(2S)	1.062480524	-0.242351001 Hartree
3	C1 Ryd(3S)	0.001388788	1.193175648 Hartree
4	C1 Ryd(4S)	0.000003288	4.437286046 Hartree
5	C1 Val(2p)	0.995626457	-0.060217716 Hartree
6	C1 Ryd(3p)	0.002743995	0.807373590 Hartree
7	C1 Val(2p)	1.205599524	-0.021346489 Hartree
8	C1 Ryd(3p)	0.004197318	1.120343180 Hartree
9	C1 Val(2p)	1.134271478	-0.032176027 Hartree
10	C1 Ryd(3p)	0.005002609	0.729556584 Hartree
11	C1 Ryd(3d)	0.000000000	1.975815842 Hartree
12	C1 Ryd(3d)	0.001629548	2.215574763 Hartree
13	C1 Ryd(3d)	0.001747311	2.604592752 Hartree
14	C1 Ryd(3d)	0.001267091	2.356581277 Hartree
15	C1 Ryd(3d)	0.000843176	2.709875485 Hartree
16	C2 Cor(1S)	1.999200699	-11.083999568 Hartree
17	C2 Val(2S)	1.062480524	-0.242351001 Hartree
18	C2 Ryd(3S)	0.001388788	1.193175648 Hartree
19	C2 Ryd(4S)	0.000003288	4.437286046 Hartree
20	C2 Val(2p)	0.995626457	-0.060217716 Hartree
21	C2 Ryd(3p)	0.002743995	0.807373590 Hartree
22	C2 Val(2p)	1.205599524	-0.021346489 Hartree
23	C2 Ryd(3p)	0.004197318	1.120343180 Hartree
24	C2 Val(2p)	1.134271478	-0.032176027 Hartree
25	C2 Ryd(3p)	0.005002609	0.729556584 Hartree
26	C2 Ryd(3d)	0.000000000	1.975815842 Hartree
27	C2 Ryd(3d)	0.001629548	2.215574763 Hartree
28	C2 Ryd(3d)	0.001747311	2.604592752 Hartree
29	C2 Ryd(3d)	0.001267091	2.356581277 Hartree
30	C2 Ryd(3d)	0.000843176	2.709875485 Hartree
31	H3 Val(1S)	0.791496964	0.178417572 Hartree
32	H3 Ryd(2S)	0.000502132	0.764463647 Hartree
33	H4 Val(1S)	0.791496964	0.178417572 Hartree
34	H4 Ryd(2S)	0.000502132	0.764463647 Hartree
35	H5 Val(1S)	0.791496964	0.178417572 Hartree
36	H5 Ryd(2S)	0.000502132	0.764463647 Hartree
37	H6 Val(1S)	0.791496964	0.178417572 Hartree
38	H6 Ryd(2S)	0.000502132	0.764463647 Hartree

Display Range		- / 38
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(0.00%)p1.00(99.84%)d0.00(0.16%)	1.000000000	-0.068158073 Hartree
2	BD(1)C2(C1) 2s(0.00%)p1.00(99.84%)d0.00(0.16%)	1.000000000	-0.068158073 Hartree
3	BD(2)C1(C2) 1s(39.37%)p1.54(60.55%)d0.00(0.08%)	1.000362331	-0.009728746 Hartree
4	BD(2)C2(C1) 2s(39.37%)p1.54(60.55%)d0.00(0.08%)	1.000362331	-0.009728746 Hartree
5	BD(1)C1(H5) 1s(30.31%)p2.29(69.57%)d0.00(0.12%)	1.205132630	-0.123623002 Hartree
6	BD(1)H5(C1) 5s(100.00%)	0.791496175	0.179087652 Hartree
7	BD(1)C1(H6) 1s(30.31%)p2.29(69.57%)d0.00(0.12%)	1.205132630	-0.123623002 Hartree
8	BD(1)H6(C1) 6s(100.00%)	0.791496175	0.179087652 Hartree
9	BD(1)C2(H3) 2s(30.31%)p2.29(69.57%)d0.00(0.12%)	1.205132630	-0.123623002 Hartree
10	BD(1)H3(C2) 3s(100.00%)	0.791496175	0.179087652 Hartree
11	BD(1)C2(H4) 2s(30.31%)p2.29(69.57%)d0.00(0.12%)	1.205132630	-0.123623002 Hartree
12	BD(1)H4(C2) 4s(100.00%)	0.791496175	0.179087652 Hartree
13	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999205839	-11.084425731 Hartree
14	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999205839	-11.084425731 Hartree
15	RY*(1)C1 s(0.00%)p1.00(94.38%)d0.06(5.62%)	0.004392869	1.252715377 Hartree
16	RY*(2)C1 s(16.19%)p5.11(82.67%)d0.07(1.14%)	0.001764279	0.810591263 Hartree
17	RY*(3)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	0.818726691 Hartree
18	RY*(4)C1 s(83.64%)p0.20(16.36%)d0.00(0.00%)	0.000001822	1.134951552 Hartree
19	RY*(5)C1 s(99.90%)p0.00(0.09%)d0.00(0.00%)	0.000000837	4.413933520 Hartree
20	RY*(6)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.975815842 Hartree
21	RY*(7)C1 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000000000	2.212162019 Hartree
22	RY*(8)C1 s(0.00%)p1.00(5.75%)d16.38(94.25%)	0.000000000	2.466618689 Hartree
23	RY*(9)C1 s(0.08%)p1.75(0.14%)d99.99(99.78%)	0.000007119	2.349574304 Hartree
24	RY*(10)C1 s(0.19%)p4.79(0.91%)d99.99(98.89%)	0.000001451	2.684553662 Hartree
25	RY*(1)C2 s(0.00%)p1.00(94.38%)d0.06(5.62%)	0.004392869	1.252715377 Hartree
26	RY*(2)C2 s(16.19%)p5.11(82.67%)d0.07(1.14%)	0.001764279	0.810591263 Hartree
27	RY*(3)C2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	0.818726691 Hartree
28	RY*(4)C2 s(83.64%)p0.20(16.36%)d0.00(0.00%)	0.000001822	1.134951552 Hartree
29	RY*(5)C2 s(99.90%)p0.00(0.09%)d0.00(0.00%)	0.000000837	4.413933520 Hartree
30	RY*(6)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.975815842 Hartree
31	RY*(7)C2 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000000000	2.212162019 Hartree
32	RY*(8)C2 s(0.00%)p1.00(5.75%)d16.38(94.25%)	0.000000000	2.466618689 Hartree
33	RY*(9)C2 s(0.08%)p1.75(0.14%)d99.99(99.78%)	0.000007119	2.349574304 Hartree
34	RY*(10)C2 s(0.19%)p4.79(0.91%)d99.99(98.89%)	0.000001451	2.684553662 Hartree
35	RY*(1)H3 s(100.00%)	0.000502921	0.763793567 Hartree
36	RY*(1)H4 s(100.00%)	0.000502921	0.763793567 Hartree
37	RY*(1)H5 s(100.00%)	0.000502921	0.763793567 Hartree
38	RY*(1)H6 s(100.00%)	0.000502921	0.763793567 Hartree

Display Range		- / 38
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	473, 474	1.999999999	-0.369981598 Hartree
2	BD(2)C1-C2	475, 476	1.996633749	-0.975461039 Hartree
3	BD(1)C1-H5	477, 478	1.988962348	-0.700462446 Hartree
4	BD(1)C1-H6	479, 480	1.988962349	-0.700462447 Hartree
5	BD(1)C2-H3	481, 482	1.988962348	-0.700462446 Hartree
6	BD(1)C2-H4	483, 484	1.988962349	-0.700462447 Hartree
7	CR(1)C1	485	1.999205839	-11.084425731 Hartree
8	CR(1)C2	486	1.999205839	-11.084425731 Hartree
9	RY*(1)C1	487	0.004392869	1.252715377 Hartree
10	RY*(2)C1	488	0.001764279	0.810591263 Hartree
11	RY*(3)C1	489	0.000000000	0.818726691 Hartree
12	RY*(4)C1	490	0.000001822	1.134951552 Hartree
13	RY*(5)C1	491	0.000000837	4.413933520 Hartree
14	RY*(6)C1	492	0.000000000	1.975815842 Hartree
15	RY*(7)C1	493	0.000000000	2.212162019 Hartree
16	RY*(8)C1	494	0.000000000	2.466618689 Hartree
17	RY*(9)C1	495	0.000007119	2.349574304 Hartree
18	RY*(10)C1	496	0.000001451	2.684553662 Hartree
19	RY*(1)C2	497	0.004392869	1.252715377 Hartree
20	RY*(2)C2	498	0.001764279	0.810591263 Hartree
21	RY*(3)C2	499	0.000000000	0.818726691 Hartree
22	RY*(4)C2	500	0.000001822	1.134951552 Hartree
23	RY*(5)C2	501	0.000000837	4.413933520 Hartree
24	RY*(6)C2	502	0.000000000	1.975815842 Hartree
25	RY*(7)C2	503	0.000000000	2.212162019 Hartree
26	RY*(8)C2	504	0.000000000	2.466618689 Hartree
27	RY*(9)C2	505	0.000007119	2.349574304 Hartree
28	RY*(10)C2	506	0.000001451	2.684553662 Hartree
29	RY*(1)H3	507	0.000502921	0.763793567 Hartree
30	RY*(1)H4	508	0.000502921	0.763793567 Hartree
31	RY*(1)H5	509	0.000502921	0.763793567 Hartree
32	RY*(1)H6	510	0.000502921	0.763793567 Hartree
33	BD*(1)C1-C2		0.000000000	0.233665451 Hartree
34	BD*(2)C1-C2		0.004090910	0.956003547 Hartree
35	BD*(1)C1-H5		0.007666456	0.755927097 Hartree
36	BD*(1)C1-H6		0.007666456	0.755927097 Hartree
37	BD*(1)C2-H3		0.007666456	0.755927097 Hartree
38	BD*(1)C2-H4		0.007666456	0.755927097 Hartree

THE MOST SERIOUS THREAT TO THE SURVIVAL OF MANKIND IS NOT NOW IGNORANCE IN THE TRADITIONAL SENSE, BUT A MORALLY NEUTRAL, AN INSENSITIVE OR INHIBITED HUMAN INTELLIGENCE. -- MARGO JEFFERSON IN NEWSWEEK, SEPTEMBER 2, 1974