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	hartrees
Energy at 0K	-380.115945
Energy at 298.15K	-380.120556
Nuclear repulsion energy	324.276150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3360	3111	0.00
2	A_g	1938	1794	0.00
3	A_g	1810	1675	0.00
4	A_g	1239	1147	0.00
5	A_g	817	756	0.00
6	A_g	473	438	0.00
7	A_u	1063	984	0.00
8	A_u	354	328	0.00
9	B_1g	800	741	0.00
10	B_1u	3340	3092	0.64
11	B_1u	1920	1778	456.56
12	B_1u	1468	1359	6.24
13	B_1u	1003	928	13.19
14	B_1u	795	736	0.29
15	B_2g	1054	976	0.00
16	B_2g	794	735	0.00
17	B_2g	223	207	0.00
18	B_2u	3358	3109	3.11
19	B_2u	1792	1659	14.32
20	B_2u	1415	1310	91.88
21	B_2u	1155	1069	43.68
22	B_2u	436	404	33.58
23	B_3g	3340	3093	0.00
24	B_3g	1499	1387	0.00
25	B_3g	1318	1221	0.00
26	B_3g	635	588	0.00
27	B_3g	474	438	0.00
28	B_3u	950	880	109.22
29	B_3u	538	498	1.40
30	B_3u	93	86	16.00

Atom	y (Å)	z (Å)
C1	0.000	1.436
C2	0.000	-1.436
C3	1.268	0.664
C4	-1.268	0.664
C5	-1.268	-0.664
C6	1.268	-0.664
O7	0.000	2.643
O8	0.000	-2.643
H9	2.174	1.248
H10	-2.174	1.248
H11	-2.174	-1.248
H12	2.174	-1.248

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8713	1.4838	1.4838	2.4528	2.4528	1.2078	4.0792	2.1825	2.1825	3.4540	3.4540
C2	2.8713		2.4528	2.4528	1.4838	1.4838	4.0792	1.2078	3.4540	3.4540	2.1825	2.1825
C3	1.4838	2.4528		2.5350	2.8621	1.3286	2.3503	3.5423	1.0785	3.4911	3.9375	2.1164
C4	1.4838	2.4528	2.5350		1.3286	2.8621	2.3503	3.5423	3.4911	1.0785	2.1164	3.9375
C5	2.4528	1.4838	2.8621	1.3286		2.5350	3.5423	2.3503	3.9375	2.1164	1.0785	3.4911
C6	2.4528	1.4838	1.3286	2.8621	2.5350		3.5423	2.3503	2.1164	3.9375	3.4911	1.0785
O7	1.2078	4.0792	2.3503	2.3503	3.5423	3.5423		5.2870	2.5838	2.5838	4.4578	4.4578
O8	4.0792	1.2078	3.5423	3.5423	2.3503	2.3503	5.2870		4.4578	4.4578	2.5838	2.5838
H9	2.1825	3.4540	1.0785	3.4911	3.9375	2.1164	2.5838	4.4578		4.3489	5.0142	2.4959
H10	2.1825	3.4540	3.4911	1.0785	2.1164	3.9375	2.5838	4.4578	4.3489		2.4959	5.0142
H11	3.4540	2.1825	3.9375	2.1164	1.0785	3.4911	4.4578	2.5838	5.0142	2.4959		4.3489
H12	3.4540	2.1825	2.1164	3.9375	3.4911	1.0785	4.4578	2.5838	2.4959	5.0142	4.3489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.324	C1	C3	H9	115.912
C1	C4	C5	121.324	C1	C4	H10	115.912
C2	C5	C4	121.324	C2	C5	H11	115.912
C2	C6	C3	121.324	C2	C6	H12	115.912
C3	C1	C4	117.352	C3	C1	O7	121.324
C3	C6	H12	122.764	C4	C1	O7	121.324
C4	C5	H11	122.764	C5	C2	C6	117.352
C5	C2	O8	121.324	C5	C4	H10	122.764
C6	C2	O8	121.324	C6	C3	H9	122.764

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

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

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)