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	hartrees
Energy at 0K	-380.378758
Energy at 298.15K	-380.383086
Nuclear repulsion energy	322.036830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3291	3086	0.00
2	A_g	1840	1725	0.00
3	A_g	1730	1622	0.00
4	A_g	1195	1120	0.00
5	A_g	791	742	0.00
6	A_g	457	429	0.00
7	A_u	988	926	0.00
8	A_u	324	304	0.00
9	B_1g	753	706	0.00
10	B_1u	3272	3068	1.01
11	B_1u	1831	1717	223.09
12	B_1u	1421	1333	4.88
13	B_1u	965	905	8.88
14	B_1u	771	723	0.07
15	B_2g	980	919	0.00
16	B_2g	699	656	0.00
17	B_2g	191	179	0.00
18	B_2u	3289	3084	6.50
19	B_2u	1714	1608	12.26
20	B_2u	1368	1282	85.37
21	B_2u	1114	1045	37.26
22	B_2u	418	392	28.28
23	B_3g	3272	3068	0.00
24	B_3g	1455	1364	0.00
25	B_3g	1279	1199	0.00
26	B_3g	615	576	0.00
27	B_3g	459	430	0.00
28	B_3u	885	830	85.28
29	B_3u	506	474	1.44
30	B_3u	88	83	13.16

Atom	y (Å)	z (Å)
C1	0.000	1.445
C2	0.000	-1.445
C3	1.272	0.671
C4	-1.272	0.671
C5	-1.272	-0.671
C6	1.272	-0.671
O7	0.000	2.667
O8	0.000	-2.667
H9	2.183	1.255
H10	-2.183	1.255
H11	-2.183	-1.255
H12	2.183	-1.255

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8901	1.4890	1.4890	2.4689	2.4689	1.2222	4.1123	2.1911	2.1911	3.4717	3.4717
C2	2.8901		2.4689	2.4689	1.4890	1.4890	4.1123	1.2222	3.4717	3.4717	2.1911	2.1911
C3	1.4890	2.4689		2.5439	2.8761	1.3419	2.3671	3.5723	1.0818	3.5036	3.9551	2.1301
C4	1.4890	2.4689	2.5439		1.3419	2.8761	2.3671	3.5723	3.5036	1.0818	2.1301	3.9551
C5	2.4689	1.4890	2.8761	1.3419		2.5439	3.5723	2.3671	3.9551	2.1301	1.0818	3.5036
C6	2.4689	1.4890	1.3419	2.8761	2.5439		3.5723	2.3671	2.1301	3.9551	3.5036	1.0818
O7	1.2222	4.1123	2.3671	2.3671	3.5723	3.5723		5.3345	2.6000	2.6000	4.4884	4.4884
O8	4.1123	1.2222	3.5723	3.5723	2.3671	2.3671	5.3345		4.4884	4.4884	2.6000	2.6000
H9	2.1911	3.4717	1.0818	3.5036	3.9551	2.1301	2.6000	4.4884		4.3655	5.0353	2.5092
H10	2.1911	3.4717	3.5036	1.0818	2.1301	3.9551	2.6000	4.4884	4.3655		2.5092	5.0353
H11	3.4717	2.1911	3.9551	2.1301	1.0818	3.5036	4.4884	2.6000	5.0353	2.5092		4.3655
H12	3.4717	2.1911	2.1301	3.9551	3.5036	1.0818	4.4884	2.6000	2.5092	5.0353	4.3655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.325	C1	C3	H9	116.025
C1	C4	C5	121.325	C1	C4	H10	116.025
C2	C5	C4	121.325	C2	C5	H11	116.025
C2	C6	C3	121.325	C2	C6	H12	116.025
C3	C1	C4	117.350	C3	C1	O7	121.325
C3	C6	H12	122.650	C4	C1	O7	121.325
C4	C5	H11	122.650	C5	C2	C6	117.350
C5	C2	O8	121.325	C5	C4	H10	122.650
C6	C2	O8	121.325	C6	C3	H9	122.650

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CCD/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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All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: CCD/6-31G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)