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	hartrees
Energy at 0K	-380.474331
Energy at 298.15K	-380.478546
HF Energy	-379.309342
Nuclear repulsion energy	321.549001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3073	0.00
2	A_g	1708	1623	0.00
3	A_g	1646	1564	0.00
4	A_g	1173	1114	0.00
5	A_g	782	743	0.00
6	A_g	449	427	0.00
7	A_u	957	909	0.00
8	A_u	316	301	0.00
9	B_1g	744	707	0.00
10	B_1u	3215	3055	0.96
11	B_1u	1709	1624	160.62
12	B_1u	1387	1318	7.11
13	B_1u	948	901	11.95
14	B_1u	758	721	0.12
15	B_2g	954	907	0.00
16	B_2g	712	677	0.00
17	B_2g	169	160	0.00
18	B_2u	3232	3072	5.05
19	B_2u	1632	1551	21.55
20	B_2u	1341	1274	71.50
21	B_2u	1092	1038	51.50
22	B_2u	408	388	24.05
23	B_3g	3216	3056	0.00
24	B_3g	1418	1348	0.00
25	B_3g	1253	1190	0.00
26	B_3g	603	573	0.00
27	B_3g	444	422	0.00
28	B_3u	889	844	91.13
29	B_3u	498	473	6.66
30	B_3u	87	83	10.91

Atom	y (Å)	z (Å)
C1	0.000	1.459
C2	0.000	-1.459
C3	1.270	0.674
C4	-1.270	0.674
C5	-1.270	-0.674
C6	1.270	-0.674
O7	0.000	2.679
O8	0.000	-2.679
H9	2.185	1.263
H10	-2.185	1.263
H11	-2.185	-1.263
H12	2.185	-1.263

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9186	1.4927	1.4927	2.4830	2.4830	1.2193	4.1379	2.1935	2.1935	3.4903	3.4903
C2	2.9186		2.4830	2.4830	1.4927	1.4927	4.1379	1.2193	3.4903	3.4903	2.1935	2.1935
C3	1.4927	2.4830		2.5396	2.8756	1.3490	2.3725	3.5855	1.0877	3.5042	3.9606	2.1424
C4	1.4927	2.4830	2.5396		1.3490	2.8756	2.3725	3.5855	3.5042	1.0877	2.1424	3.9606
C5	2.4830	1.4927	2.8756	1.3490		2.5396	3.5855	2.3725	3.9606	2.1424	1.0877	3.5042
C6	2.4830	1.4927	1.3490	2.8756	2.5396		3.5855	2.3725	2.1424	3.9606	3.5042	1.0877
O7	1.2193	4.1379	2.3725	2.3725	3.5855	3.5855		5.3572	2.6034	2.6034	4.5063	4.5063
O8	4.1379	1.2193	3.5855	3.5855	2.3725	2.3725	5.3572		4.5063	4.5063	2.6034	2.6034
H9	2.1935	3.4903	1.0877	3.5042	3.9606	2.1424	2.6034	4.5063		4.3694	5.0467	2.5254
H10	2.1935	3.4903	3.5042	1.0877	2.1424	3.9606	2.6034	4.5063	4.3694		2.5254	5.0467
H11	3.4903	2.1935	3.9606	2.1424	1.0877	3.5042	4.5063	2.6034	5.0467	2.5254		4.3694
H12	3.4903	2.1935	2.1424	3.9606	3.5042	1.0877	4.5063	2.6034	2.5254	5.0467	4.3694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.719	C1	C3	H9	115.544
C1	C4	C5	121.719	C1	C4	H10	115.544
C2	C5	C4	121.719	C2	C5	H11	115.544
C2	C6	C3	121.719	C2	C6	H12	115.544
C3	C1	C4	116.563	C3	C1	O7	121.719
C3	C6	H12	122.737	C4	C1	O7	121.719
C4	C5	H11	122.737	C5	C2	C6	116.563
C5	C2	O8	121.719	C5	C4	H10	122.737
C6	C2	O8	121.719	C6	C3	H9	122.737

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)