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	hartrees
Energy at 0K	-380.508468
Energy at 298.15K	-380.512738
Nuclear repulsion energy	321.289501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3212	3075	0.00
2	A_g	1795	1719	0.00
3	A_g	1688	1616	0.00
4	A_g	1177	1127	0.00
5	A_g	774	741	0.00
6	A_g	450	431	0.00
7	A_u	968	927	0.00
8	A_u	324	310	0.00
9	B_1g	747	715	0.00
10	B_1u	3192	3056	2.74
11	B_1u	1777	1701	345.94
12	B_1u	1391	1332	3.78
13	B_1u	951	911	12.16
14	B_1u	756	724	0.00
15	B_2g	959	918	0.00
16	B_2g	737	705	0.00
17	B_2g	181	173	0.00
18	B_2u	3209	3073	8.74
19	B_2u	1675	1604	14.04
20	B_2u	1339	1282	74.03
21	B_2u	1093	1046	50.35
22	B_2u	412	395	26.07
23	B_3g	3192	3056	0.00
24	B_3g	1418	1357	0.00
25	B_3g	1251	1198	0.00
26	B_3g	604	578	0.00
27	B_3g	449	430	0.00
28	B_3u	894	856	94.99
29	B_3u	502	481	4.78
30	B_3u	86	82	12.04

Atom	y (Å)	z (Å)
C1	0.000	1.454
C2	0.000	-1.454
C3	1.275	0.673
C4	-1.275	0.673
C5	-1.275	-0.673
C6	1.275	-0.673
O7	0.000	2.671
O8	0.000	-2.671
H9	2.192	1.259
H10	-2.192	1.259
H11	-2.192	-1.259
H12	2.192	-1.259

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9075	1.4955	1.4955	2.4796	2.4796	1.2175	4.1250	2.2008	2.2008	3.4881	3.4881
C2	2.9075		2.4796	2.4796	1.4955	1.4955	4.1250	1.2175	3.4881	3.4881	2.2008	2.2008
C3	1.4955	2.4796		2.5507	2.8838	1.3454	2.3708	3.5789	1.0885	3.5169	3.9695	2.1386
C4	1.4955	2.4796	2.5507		1.3454	2.8838	2.3708	3.5789	3.5169	1.0885	2.1386	3.9695
C5	2.4796	1.4955	2.8838	1.3454		2.5507	3.5789	2.3708	3.9695	2.1386	1.0885	3.5169
C6	2.4796	1.4955	1.3454	2.8838	2.5507		3.5789	2.3708	2.1386	3.9695	3.5169	1.0885
O7	1.2175	4.1250	2.3708	2.3708	3.5789	3.5789		5.3424	2.6075	2.6075	4.5006	4.5006
O8	4.1250	1.2175	3.5789	3.5789	2.3708	2.3708	5.3424		4.5006	4.5006	2.6075	2.6075
H9	2.2008	3.4881	1.0885	3.5169	3.9695	2.1386	2.6075	4.5006		4.3844	5.0565	2.5189
H10	2.2008	3.4881	3.5169	1.0885	2.1386	3.9695	2.6075	4.5006	4.3844		2.5189	5.0565
H11	3.4881	2.2008	3.9695	2.1386	1.0885	3.5169	4.5006	2.6075	5.0565	2.5189		4.3844
H12	3.4881	2.2008	2.1386	3.9695	3.5169	1.0885	4.5006	2.6075	2.5189	5.0565	4.3844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.485	C1	C3	H9	115.898
C1	C4	C5	121.485	C1	C4	H10	115.898
C2	C5	C4	121.485	C2	C5	H11	115.898
C2	C6	C3	121.485	C2	C6	H12	115.898
C3	C1	C4	117.031	C3	C1	O7	121.485
C3	C6	H12	122.617	C4	C1	O7	121.485
C4	C5	H11	122.617	C5	C2	C6	117.031
C5	C2	O8	121.485	C5	C4	H10	122.617
C6	C2	O8	121.485	C6	C3	H9	122.617

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)