WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	CH2O
Symmetry	C2V
Basis	6-31G(d)
RB3LYP Energy	-114.500472746 Hartree
Dipole Moment	2.1867 Debye
Server	batch (498885)
CPU time	2.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	285.0696875	9.50890123794
b	38.6333719	1.28867057423
c	34.0225492	1.13487008402

Display Range		- / 34
Orbital	Symmetry	Occupancy	Energy	Actions
1	A1	2	-19.16977 Hartree
2	A1	2	-10.28910 Hartree
3	A1	2	-1.06082 Hartree
4	A1	2	-0.63755 Hartree
5	B2	2	-0.49531 Hartree
6	A1	2	-0.44955 Hartree
7	B1	2	-0.39918 Hartree
8	B2	2	-0.26850 Hartree
9	B1	0	-0.04213 Hartree
10	A1	0	0.10123 Hartree
11	B2	0	0.18201 Hartree
12	A1	0	0.21874 Hartree
13	B1	0	0.50658 Hartree
14	A1	0	0.62355 Hartree
15	B2	0	0.62679 Hartree
16	A1	0	0.69392 Hartree
17	B2	0	0.81384 Hartree
18	A1	0	0.83714 Hartree
19	A1	0	0.89051 Hartree
20	B1	0	0.96009 Hartree
21	B2	0	1.05915 Hartree
22	A1	0	1.37727 Hartree
23	A2	0	1.50578 Hartree
24	B1	0	1.51003 Hartree
25	A1	0	1.68172 Hartree
26	B2	0	1.84987 Hartree
27	A2	0	1.93137 Hartree
28	A1	0	2.12612 Hartree
29	A1	0	2.27902 Hartree
30	B1	0	2.54098 Hartree
31	B2	0	2.65680 Hartree
32	A1	0	2.91069 Hartree
33	A1	0	3.68300 Hartree
34	A1	0	4.05550 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	0.22747
2	O	-0.49549
3	H	0.13401
4	H	0.13401

Display Range		- / 34
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999716919	-10.181251502 Hartree
2	C1 Val(2S)	1.051075192	-0.283343271 Hartree
3	C1 Ryd(3S)	0.006764615	1.020774433 Hartree
4	C1 Ryd(4S)	0.000045102	3.689060190 Hartree
5	C1 Val(2p)	0.706603881	-0.147393297 Hartree
6	C1 Ryd(3p)	0.001301079	0.497946071 Hartree
7	C1 Val(2p)	1.144975010	-0.076421977 Hartree
8	C1 Ryd(3p)	0.000219963	0.660205993 Hartree
9	C1 Val(2p)	0.843625133	-0.016552775 Hartree
10	C1 Ryd(3p)	0.011977025	0.531834274 Hartree
11	C1 Ryd(3d)	0.000000000	1.658369373 Hartree
12	C1 Ryd(3d)	0.001097368	2.206297268 Hartree
13	C1 Ryd(3d)	0.003594894	2.433205651 Hartree
14	C1 Ryd(3d)	0.000570925	1.991196623 Hartree
15	C1 Ryd(3d)	0.000965821	2.394698903 Hartree
16	O2 Cor(1S)	1.999826552	-18.917907399 Hartree
17	O2 Val(2S)	1.716569384	-0.919517482 Hartree
18	O2 Ryd(3S)	0.001845902	1.458809671 Hartree
19	O2 Ryd(4S)	0.000002162	3.478434629 Hartree
20	O2 Val(2p)	1.286292054	-0.260927185 Hartree
21	O2 Ryd(3p)	0.000118062	0.956287508 Hartree
22	O2 Val(2p)	1.881122136	-0.278772538 Hartree
23	O2 Ryd(3p)	0.004116414	1.075465244 Hartree
24	O2 Val(2p)	1.588872556	-0.322194638 Hartree
25	O2 Ryd(3p)	0.000427649	1.115117240 Hartree
26	O2 Ryd(3d)	0.000000000	1.778784958 Hartree
27	O2 Ryd(3d)	0.004587556	1.824169978 Hartree
28	O2 Ryd(3d)	0.004281050	1.949242726 Hartree
29	O2 Ryd(3d)	0.000037278	1.784184535 Hartree
30	O2 Ryd(3d)	0.007386416	2.491490119 Hartree
31	H3 Val(1S)	0.862682903	0.002518152 Hartree
32	H3 Ryd(2S)	0.003308048	0.606754338 Hartree
33	H4 Val(1S)	0.862682903	0.002518152 Hartree
34	H4 Ryd(2S)	0.003308048	0.606754338 Hartree

Display Range		- / 34
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(O2) 1s(0.00%)p1.00(99.85%)d0.00(0.15%)	0.709002328	-0.149115623 Hartree
2	BD(1)O2(C1) 2s(0.00%)p1.00(99.64%)d0.00(0.36%)	1.290997672	-0.261846212 Hartree
3	BD(2)C1(O2) 1s(32.13%)p2.11(67.74%)d0.00(0.13%)	0.672915953	0.037297282 Hartree
4	BD(2)O2(C1) 2s(40.90%)p1.43(58.63%)d0.01(0.47%)	1.326981341	-0.518763553 Hartree
5	BD(1)C1(H3) 1s(34.05%)p1.93(65.87%)d0.00(0.08%)	1.189352979	-0.178740441 Hartree
6	BD(1)H3(C1) 3s(100.00%)	0.862548633	0.008931719 Hartree
7	BD(1)C1(H4) 1s(34.05%)p1.93(65.87%)d0.00(0.08%)	1.189352979	-0.178740441 Hartree
8	BD(1)H4(C1) 4s(100.00%)	0.862548633	0.008931719 Hartree
9	CR(1)C1 s(100.00%)	1.999716944	-10.181165665 Hartree
10	CR(1)O2 s(100.00%)p0.00(0.00%)	1.999825827	-18.918849282 Hartree
11	LP(1)O2 s(59.14%)p0.69(40.81%)d0.00(0.06%)	1.987796292	-0.715470507 Hartree
12	LP(2)O2 s(0.00%)p1.00(99.77%)d0.00(0.23%)	1.885727918	-0.280979103 Hartree
13	RY*(1)C1 s(28.28%)p2.53(71.51%)d0.01(0.21%)	0.009090041	0.640299003 Hartree
14	RY*(2)C1 s(0.00%)p1.00(0.13%)d99.99(99.87%)	0.003071641	2.429891896 Hartree
15	RY*(3)C1 s(71.58%)p0.40(28.42%)d0.00(0.00%)	0.000010705	0.951162681 Hartree
16	RY*(4)C1 s(5.63%)p0.06(0.35%)d16.69(94.02%)	0.000017196	2.542896566 Hartree
17	RY*(5)C1 s(94.26%)p0.00(0.09%)d0.06(5.65%)	-0.000000000	3.453071922 Hartree
18	RY*(6)C1 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.658369373 Hartree
19	RY*(7)C1 s(0.00%)p1.00(0.16%)d99.99(99.84%)	0.000000000	2.200919288 Hartree
20	RY*(8)C1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	0.505046378 Hartree
21	RY*(9)C1 s(0.03%)p0.80(0.03%)d99.99(99.94%)	0.000002159	1.988016946 Hartree
22	RY*(10)C1 s(0.00%)p1.00(99.99%)d0.00(0.01%)	-0.000000000	0.659416795 Hartree
23	RY*(1)O2 s(0.00%)p1.00(99.69%)d0.00(0.31%)	0.003791682	1.097217706 Hartree
24	RY*(2)O2 s(19.47%)p2.47(48.00%)d1.67(32.53%)	0.000350658	1.381245151 Hartree
25	RY*(3)O2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	0.955426962 Hartree
26	RY*(4)O2 s(71.27%)p0.40(28.73%)d0.00(0.00%)	0.000003126	1.122495929 Hartree
27	RY*(5)O2 s(99.77%)p0.00(0.14%)d0.00(0.09%)	0.000001124	3.438824513 Hartree
28	RY*(6)O2 s(0.00%)p0.00(0.00%)d1.00(100.00%)	0.000000000	1.778784958 Hartree
29	RY*(7)O2 s(0.00%)p1.00(0.36%)d99.99(99.64%)	-0.000000000	1.825949552 Hartree
30	RY*(8)O2 s(0.00%)p1.00(0.53%)d99.99(99.47%)	0.000000000	1.929696829 Hartree
31	RY*(9)O2 s(0.68%)p2.49(1.69%)d99.99(97.63%)	0.000002037	1.776624517 Hartree
32	RY*(10)O2 s(8.77%)p2.51(22.01%)d7.89(69.22%)	0.000007494	2.602309907 Hartree
33	RY*(1)H3 s(100.00%)	0.003442319	0.600340771 Hartree
34	RY*(1)H4 s(100.00%)	0.003442319	0.600340771 Hartree

Display Range		- / 34
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-O2	175, 176	2.000000000	-0.399177638 Hartree
2	BD(2)C1-O2	177, 178	1.999894925	-1.087084083 Hartree
3	BD(1)C1-H3	179, 180	1.995370265	-0.566258512 Hartree
4	BD(1)C1-H4	181, 182	1.995370265	-0.566258512 Hartree
5	CR(1)C1	183	1.999716944	-10.181165665 Hartree
6	CR(1)O2	184	1.999825827	-18.918849282 Hartree
7	LP(1)O2	185	1.987796292	-0.715470507 Hartree
8	LP(2)O2	186	1.885727918	-0.280979103 Hartree
9	RY*(1)C1	187	0.009090041	0.640299003 Hartree
10	RY*(2)C1	188	0.003071641	2.429891896 Hartree
11	RY*(3)C1	189	0.000010705	0.951162681 Hartree
12	RY*(4)C1	190	0.000017196	2.542896566 Hartree
13	RY*(5)C1	191	-0.000000000	3.453071922 Hartree
14	RY*(6)C1	192	0.000000000	1.658369373 Hartree
15	RY*(7)C1	193	0.000000000	2.200919288 Hartree
16	RY*(8)C1	194	0.000000000	0.505046378 Hartree
17	RY*(9)C1	195	0.000002159	1.988016946 Hartree
18	RY*(10)C1	196	0.000000000	0.659416795 Hartree
19	RY*(1)O2	197	0.003791682	1.097217706 Hartree
20	RY*(2)O2	198	0.000350658	1.381245151 Hartree
21	RY*(3)O2	199	0.000000000	0.955426962 Hartree
22	RY*(4)O2	200	0.000003126	1.122495929 Hartree
23	RY*(5)O2	201	0.000001124	3.438824513 Hartree
24	RY*(6)O2	202	0.000000000	1.778784958 Hartree
25	RY*(7)O2	203	-0.000000000	1.825949552 Hartree
26	RY*(8)O2	204	0.000000000	1.929696829 Hartree
27	RY*(9)O2	205	0.000002037	1.776624517 Hartree
28	RY*(10)O2	206	0.000007494	2.602309907 Hartree
29	RY*(1)H3	207	0.003442319	0.600340771 Hartree
30	RY*(1)H4	208	0.003442319	0.600340771 Hartree
31	BD*(1)C1-O2		-0.000000000	-0.011784197 Hartree
32	BD*(2)C1-O2		0.000002368	0.605617812 Hartree
33	BD*(1)C1-H3		0.056531346	0.396449790 Hartree
34	BD*(1)C1-H4		0.056531346	0.396449790 Hartree

WE LOSE BECAUSE WE WIN GAMBLERS, RECOLLECTING WHICH, TOSS THEIR DICE AGAIN.... EMILY DICKINSON BOLTS OF MELODY NO. 533