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	hartrees
Energy at 0K	-379.066520
Energy at 298.15K	-379.071512
Nuclear repulsion energy	324.199346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3415	3084	0.00
2	A_g	1947	1758	0.00
3	A_g	1820	1644	0.00
4	A_g	1297	1171	0.00
5	A_g	832	752	0.00
6	A_g	498	449	0.00
7	A_u	1175	1061	0.00
8	A_u	408	368	0.00
9	B_1g	865	781	0.00
10	B_1u	3393	3064	0.04
11	B_1u	1905	1720	523.73
12	B_1u	1528	1379	0.76
13	B_1u	1044	943	19.52
14	B_1u	822	742	4.28
15	B_2g	1164	1051	0.00
16	B_2g	859	776	0.00
17	B_2g	278	251	0.00
18	B_2u	3413	3081	3.54
19	B_2u	1834	1656	11.45
20	B_2u	1455	1313	76.73
21	B_2u	1192	1076	55.97
22	B_2u	446	403	42.73
23	B_3g	3393	3063	0.00
24	B_3g	1539	1390	0.00
25	B_3g	1368	1235	0.00
26	B_3g	669	604	0.00
27	B_3g	507	458	0.00
28	B_3u	1001	904	149.63
29	B_3u	566	511	2.41
30	B_3u	106	95	22.42

Atom	y (Å)	z (Å)
C1	0.000	1.430
C2	0.000	-1.430
C3	1.265	0.664
C4	-1.265	0.664
C5	-1.265	-0.664
C6	1.265	-0.664
O7	0.000	2.650
O8	0.000	-2.650
H9	2.167	1.242
H10	-2.167	1.242
H11	-2.167	-1.242
H12	2.167	-1.242

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8599	1.4787	1.4787	2.4463	2.4463	1.2206	4.0804	2.1754	2.1754	3.4402	3.4402
C2	2.8599		2.4463	2.4463	1.4787	1.4787	4.0804	1.2206	3.4402	3.4402	2.1754	2.1754
C3	1.4787	2.4463		2.5297	2.8571	1.3279	2.3550	3.5476	1.0715	3.4804	3.9257	2.1087
C4	1.4787	2.4463	2.5297		1.3279	2.8571	2.3550	3.5476	3.4804	1.0715	2.1087	3.9257
C5	2.4463	1.4787	2.8571	1.3279		2.5297	3.5476	2.3550	3.9257	2.1087	1.0715	3.4804
C6	2.4463	1.4787	1.3279	2.8571	2.5297		3.5476	2.3550	2.1087	3.9257	3.4804	1.0715
O7	1.2206	4.0804	2.3550	2.3550	3.5476	3.5476		5.3010	2.5848	2.5848	4.4550	4.4550
O8	4.0804	1.2206	3.5476	3.5476	2.3550	2.3550	5.3010		4.4550	4.4550	2.5848	2.5848
H9	2.1754	3.4402	1.0715	3.4804	3.9257	2.1087	2.5848	4.4550		4.3344	4.9956	2.4837
H10	2.1754	3.4402	3.4804	1.0715	2.1087	3.9257	2.5848	4.4550	4.3344		2.4837	4.9956
H11	3.4402	2.1754	3.9257	2.1087	1.0715	3.4804	4.4550	2.5848	4.9956	2.4837		4.3344
H12	3.4402	2.1754	2.1087	3.9257	3.4804	1.0715	4.4550	2.5848	2.4837	4.9956	4.3344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.198	C1	C3	H9	116.165
C1	C4	C5	121.198	C1	C4	H10	116.165
C2	C5	C4	121.198	C2	C5	H11	116.165
C2	C6	C3	121.198	C2	C6	H12	116.165
C3	C1	C4	117.604	C3	C1	O7	121.198
C3	C6	H12	122.637	C4	C1	O7	121.198
C4	C5	H11	122.637	C5	C2	C6	117.604
C5	C2	O8	121.198	C5	C4	H10	122.637
C6	C2	O8	121.198	C6	C3	H9	122.637

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.387
2	C	0.387
3	C	-0.187
4	C	-0.187
5	C	-0.187
6	C	-0.187
7	O	-0.523
8	O	-0.523
9	H	0.255
10	H	0.255
11	H	0.255
12	H	0.255

<r²>	242.178
(<r²>)^1/2	15.562

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)