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	hartrees
Energy at 0K	-374.826173
Energy at 298.15K	-374.830106
Nuclear repulsion energy	312.671097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3508	3058	0.00
2	A_g	1755	1530	0.00
3	A_g	1614	1407	0.00
4	A_g	1246	1087	0.00
5	A_g	778	678	0.00
6	A_g	450	392	0.00
7	A_u	1082	943	0.00
8	A_u	376	328	0.00
9	B_1g	777	677	0.00
10	B_1u	3487	3040	7.38
11	B_1u	1668	1454	4.32
12	B_1u	1485	1295	2.74
13	B_1u	970	846	0.67
14	B_1u	777	677	3.04
15	B_2g	1083	944	0.00
16	B_2g	783	683	0.00
17	B_2g	244	213	0.00
18	B_2u	3506	3057	0.12
19	B_2u	1716	1496	7.89
20	B_2u	1368	1193	71.75
21	B_2u	1143	996	24.24
22	B_2u	388	338	11.22
23	B_3g	3487	3041	0.00
24	B_3g	1510	1317	0.00
25	B_3g	1283	1119	0.00
26	B_3g	619	539	0.00
27	B_3g	458	399	0.00
28	B_3u	891	777	29.66
29	B_3u	486	423	0.85
30	B_3u	83	72	3.26

Atom	y (Å)	z (Å)
C1	0.000	1.499
C2	0.000	-1.499
C3	1.293	0.680
C4	-1.293	0.680
C5	-1.293	-0.680
C6	1.293	-0.680
O7	0.000	2.777
O8	0.000	-2.777
H9	2.239	1.248
H10	-2.239	1.248
H11	-2.239	-1.248
H12	2.239	-1.248

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9979	1.5301	1.5301	2.5340	2.5340	1.2776	4.2755	2.2525	2.2525	3.5439	3.5439
C2	2.9979		2.5340	2.5340	1.5301	1.5301	4.2755	1.2776	3.5439	3.5439	2.2525	2.2525
C3	1.5301	2.5340		2.5856	2.9218	1.3609	2.4627	3.6908	1.1032	3.5767	4.0238	2.1483
C4	1.5301	2.5340	2.5856		1.3609	2.9218	2.4627	3.6908	3.5767	1.1032	2.1483	4.0238
C5	2.5340	1.5301	2.9218	1.3609		2.5856	3.6908	2.4627	4.0238	2.1483	1.1032	3.5767
C6	2.5340	1.5301	1.3609	2.9218	2.5856		3.6908	2.4627	2.1483	4.0238	3.5767	1.1032
O7	1.2776	4.2755	2.4627	2.4627	3.6908	3.6908		5.5532	2.7104	2.7104	4.6057	4.6057
O8	4.2755	1.2776	3.6908	3.6908	2.4627	2.4627	5.5532		4.6057	4.6057	2.7104	2.7104
H9	2.2525	3.5439	1.1032	3.5767	4.0238	2.1483	2.7104	4.6057		4.4771	5.1263	2.4970
H10	2.2525	3.5439	3.5767	1.1032	2.1483	4.0238	2.7104	4.6057	4.4771		2.4970	5.1263
H11	3.5439	2.2525	4.0238	2.1483	1.1032	3.5767	4.6057	2.7104	5.1263	2.4970		4.4771
H12	3.5439	2.2525	2.1483	4.0238	3.5767	1.1032	4.6057	2.7104	2.4970	5.1263	4.4771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.340	C1	C3	H9	116.669
C1	C4	C5	122.340	C1	C4	H10	116.669
C2	C5	C4	122.340	C2	C5	H11	116.669
C2	C6	C3	122.340	C2	C6	H12	116.669
C3	C1	C4	115.320	C3	C1	O7	122.340
C3	C6	H12	120.991	C4	C1	O7	122.340
C4	C5	H11	120.991	C5	C2	C6	115.320
C5	C2	O8	122.340	C5	C4	H10	120.991
C6	C2	O8	122.340	C6	C3	H9	120.991

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)