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	hartrees
Energy at 0K	-67.108470
Energy at 298.15K	-67.112609
Nuclear repulsion energy	156.731961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3206	3098	0.00
2	A_g	1621	1567	0.00
3	A_g	1456	1407	0.00
4	A_g	1170	1131	0.00
5	A_g	760	734	0.00
6	A_g	434	419	0.00
7	A_u	930	899	0.00
8	A_u	343	331	0.00
9	B_1g	743	718	0.00
10	B_1u	3168	3061	2.09
11	B_1u	1524	1473	57.28
12	B_1u	1356	1310	4.40
13	B_1u	931	899	5.16
14	B_1u	737	712	0.01
15	B_2g	922	891	0.00
16	B_2g	656	634	0.00
17	B_2g	212	205	0.00
18	B_2u	3204	3096	27.95
19	B_2u	1579	1526	26.11
20	B_2u	1330	1285	57.63
21	B_2u	1076	1040	47.38
22	B_2u	381	368	26.57
23	B_3g	3170	3064	0.00
24	B_3g	1401	1353	0.00
25	B_3g	1260	1217	0.00
26	B_3g	588	568	0.00
27	B_3g	437	422	0.00
28	B_3u	865	836	101.82
29	B_3u	475	459	7.13
30	B_3u	91	88	15.54

Atom	y (Å)	z (Å)
C1	0.000	1.480
C2	0.000	-1.480
C3	1.301	0.699
C4	-1.301	0.699
C5	-1.301	-0.699
C6	1.301	-0.699
O7	0.000	2.778
O8	0.000	-2.778
H9	2.233	1.283
H10	-2.233	1.283
H11	-2.233	-1.283
H12	2.233	-1.283

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9603	1.5179	1.5179	2.5378	2.5378	1.2978	4.2581	2.2421	2.2421	3.5528	3.5528
C2	2.9603		2.5378	2.5378	1.5179	1.5179	4.2581	1.2978	3.5528	3.5528	2.2421	2.2421
C3	1.5179	2.5378		2.6026	2.9540	1.3973	2.4529	3.7121	1.1001	3.5827	4.0523	2.1898
C4	1.5179	2.5378	2.6026		1.3973	2.9540	2.4529	3.7121	3.5827	1.1001	2.1898	4.0523
C5	2.5378	1.5179	2.9540	1.3973		2.6026	3.7121	2.4529	4.0523	2.1898	1.1001	3.5827
C6	2.5378	1.5179	1.3973	2.9540	2.6026		3.7121	2.4529	2.1898	4.0523	3.5827	1.1001
O7	1.2978	4.2581	2.4529	2.4529	3.7121	3.7121		5.5558	2.6876	2.6876	4.6345	4.6345
O8	4.2581	1.2978	3.7121	3.7121	2.4529	2.4529	5.5558		4.6345	4.6345	2.6876	2.6876
H9	2.2421	3.5528	1.1001	3.5827	4.0523	2.1898	2.6876	4.6345		4.4669	5.1514	2.5658
H10	2.2421	3.5528	3.5827	1.1001	2.1898	4.0523	2.6876	4.6345	4.4669		2.5658	5.1514
H11	3.5528	2.2421	4.0523	2.1898	1.1001	3.5827	4.6345	2.6876	5.1514	2.5658		4.4669
H12	3.5528	2.2421	2.1898	4.0523	3.5827	1.1001	4.6345	2.6876	2.5658	5.1514	4.4669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	120.987	C1	C3	H9	116.935
C1	C4	C5	120.987	C1	C4	H10	116.935
C2	C5	C4	120.987	C2	C5	H11	116.935
C2	C6	C3	120.987	C2	C6	H12	116.935
C3	C1	C4	118.027	C3	C1	O7	120.987
C3	C6	H12	122.078	C4	C1	O7	120.987
C4	C5	H11	122.078	C5	C2	C6	118.027
C5	C2	O8	120.987	C5	C4	H10	122.078
C6	C2	O8	120.987	C6	C3	H9	122.078

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)