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	hartrees
Energy at 0K	-379.696719
Energy at 298.15K	-379.701306
Nuclear repulsion energy	321.182223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3317	3102	0.00
2	A_g	1837	1718	0.00
3	A_g	1732	1620	0.00
4	A_g	1247	1166	0.00
5	A_g	806	754	0.00
6	A_g	477	446	0.00
7	A_u	1033	966	0.00
8	A_u	364	340	0.00
9	B_1g	780	729	0.00
10	B_1u	3294	3080	0.12
11	B_1u	1794	1678	293.04
12	B_1u	1462	1368	2.05
13	B_1u	998	934	12.17
14	B_1u	791	740	1.59
15	B_2g	1017	951	0.00
16	B_2g	734	687	0.00
17	B_2g	231	216	0.00
18	B_2u	3314	3099	6.31
19	B_2u	1754	1640	13.29
20	B_2u	1399	1308	68.06
21	B_2u	1146	1072	52.97
22	B_2u	425	397	34.79
23	B_3g	3293	3080	0.00
24	B_3g	1475	1380	0.00
25	B_3g	1320	1235	0.00
26	B_3g	640	598	0.00
27	B_3g	484	453	0.00
28	B_3u	908	849	120.09
29	B_3u	518	484	2.84
30	B_3u	94	88	18.48

Atom	y (Å)	z (Å)
C1	0.000	1.440
C2	0.000	-1.440
C3	1.273	0.671
C4	-1.273	0.671
C5	-1.273	-0.671
C6	1.273	-0.671
O7	0.000	2.680
O8	0.000	-2.680
H9	2.184	1.254
H10	-2.184	1.254
H11	-2.184	-1.254
H12	2.184	-1.254

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8806	1.4873	1.4873	2.4651	2.4651	1.2398	4.1204	2.1919	2.1919	3.4681	3.4681
C2	2.8806		2.4651	2.4651	1.4873	1.4873	4.1204	1.2398	3.4681	3.4681	2.1919	2.1919
C3	1.4873	2.4651		2.5455	2.8773	1.3415	2.3785	3.5844	1.0818	3.5055	3.9563	2.1294
C4	1.4873	2.4651	2.5455		1.3415	2.8773	2.3785	3.5844	3.5055	1.0818	2.1294	3.9563
C5	2.4651	1.4873	2.8773	1.3415		2.5455	3.5844	2.3785	3.9563	2.1294	1.0818	3.5055
C6	2.4651	1.4873	1.3415	2.8773	2.5455		3.5844	2.3785	2.1294	3.9563	3.5055	1.0818
O7	1.2398	4.1204	2.3785	2.3785	3.5844	3.5844		5.3602	2.6084	2.6084	4.4995	4.4995
O8	4.1204	1.2398	3.5844	3.5844	2.3785	2.3785	5.3602		4.4995	4.4995	2.6084	2.6084
H9	2.1919	3.4681	1.0818	3.5055	3.9563	2.1294	2.6084	4.4995		4.3678	5.0365	2.5077
H10	2.1919	3.4681	3.5055	1.0818	2.1294	3.9563	2.6084	4.4995	4.3678		2.5077	5.0365
H11	3.4681	2.1919	3.9563	2.1294	1.0818	3.5055	4.4995	2.6084	5.0365	2.5077		4.3678
H12	3.4681	2.1919	2.1294	3.9563	3.5055	1.0818	4.4995	2.6084	2.5077	5.0365	4.3678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.159	C1	C3	H9	116.225
C1	C4	C5	121.159	C1	C4	H10	116.225
C2	C5	C4	121.159	C2	C5	H11	116.225
C2	C6	C3	121.159	C2	C6	H12	116.225
C3	C1	C4	117.682	C3	C1	O7	121.159
C3	C6	H12	122.616	C4	C1	O7	121.159
C4	C5	H11	122.616	C5	C2	C6	117.682
C5	C2	O8	121.159	C5	C4	H10	122.616
C6	C2	O8	121.159	C6	C3	H9	122.616

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)