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	hartrees
Energy at 0K	-377.734571
Energy at 298.15K	-377.739345
Nuclear repulsion energy	321.716481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3317	3087	0.00
2	A_g	1838	1711	0.00
3	A_g	1752	1631	0.00
4	A_g	1265	1177	0.00
5	A_g	774	720	0.00
6	A_g	479	445	0.00
7	A_u	1118	1040	0.00
8	A_u	391	364	0.00
9	B_1g	830	773	0.00
10	B_1u	3294	3065	0.23
11	B_1u	1816	1689	188.18
12	B_1u	1468	1366	6.16
13	B_1u	987	919	10.48
14	B_1u	765	712	0.20
15	B_2g	1111	1034	0.00
16	B_2g	863	803	0.00
17	B_2g	285	265	0.00
18	B_2u	3313	3083	4.78
19	B_2u	1751	1630	9.32
20	B_2u	1366	1271	48.87
21	B_2u	1120	1043	87.35
22	B_2u	414	385	26.08
23	B_3g	3293	3065	0.00
24	B_3g	1460	1359	0.00
25	B_3g	1270	1181	0.00
26	B_3g	629	585	0.00
27	B_3g	477	444	0.00
28	B_3u	987	918	121.91
29	B_3u	550	512	8.30
30	B_3u	101	94	12.31

Atom	y (Å)	z (Å)
C1	0.000	1.455
C2	0.000	-1.455
C3	1.264	0.665
C4	-1.264	0.665
C5	-1.264	-0.665
C6	1.264	-0.665
O7	0.000	2.686
O8	0.000	-2.686
H9	2.177	1.240
H10	-2.177	1.240
H11	-2.177	-1.240
H12	2.177	-1.240

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9105	1.4903	1.4903	2.4687	2.4687	1.2303	4.1408	2.1873	2.1873	3.4647	3.4647
C2	2.9105		2.4687	2.4687	1.4903	1.4903	4.1408	1.2303	3.4647	3.4647	2.1873	2.1873
C3	1.4903	2.4687		2.5277	2.8566	1.3308	2.3829	3.5813	1.0789	3.4883	3.9331	2.1131
C4	1.4903	2.4687	2.5277		1.3308	2.8566	2.3829	3.5813	3.4883	1.0789	2.1131	3.9331
C5	2.4687	1.4903	2.8566	1.3308		2.5277	3.5813	2.3829	3.9331	2.1131	1.0789	3.4883
C6	2.4687	1.4903	1.3308	2.8566	2.5277		3.5813	2.3829	2.1131	3.9331	3.4883	1.0789
O7	1.2303	4.1408	2.3829	2.3829	3.5813	3.5813		5.3711	2.6128	2.6128	4.4889	4.4889
O8	4.1408	1.2303	3.5813	3.5813	2.3829	2.3829	5.3711		4.4889	4.4889	2.6128	2.6128
H9	2.1873	3.4647	1.0789	3.4883	3.9331	2.1131	2.6128	4.4889		4.3534	5.0106	2.4807
H10	2.1873	3.4647	3.4883	1.0789	2.1131	3.9331	2.6128	4.4889	4.3534		2.4807	5.0106
H11	3.4647	2.1873	3.9331	2.1131	1.0789	3.4883	4.4889	2.6128	5.0106	2.4807		4.3534
H12	3.4647	2.1873	2.1131	3.9331	3.4883	1.0789	4.4889	2.6128	2.4807	5.0106	4.3534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.004	C1	C3	H9	115.793
C1	C4	C5	122.004	C1	C4	H10	115.793
C2	C5	C4	122.004	C2	C5	H11	115.793
C2	C6	C3	122.004	C2	C6	H12	115.793
C3	C1	C4	115.993	C3	C1	O7	122.004
C3	C6	H12	122.203	C4	C1	O7	122.004
C4	C5	H11	122.203	C5	C2	C6	115.993
C5	C2	O8	122.004	C5	C4	H10	122.203
C6	C2	O8	122.004	C6	C3	H9	122.203

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CID/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)