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	hartrees
Energy at 0K	-67.644699
Energy at 298.15K	-67.648998
Nuclear repulsion energy	159.459283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3077	0.00
2	A_g	1704	1618	0.00
3	A_g	1628	1546	0.00
4	A_g	1160	1101	0.00
5	A_g	785	746	0.00
6	A_g	436	414	0.00
7	A_u	986	936	0.00
8	A_u	337	320	0.00
9	B_1g	773	734	0.00
10	B_1u	3210	3048	0.14
11	B_1u	1685	1600	202.00
12	B_1u	1374	1304	7.17
13	B_1u	940	892	8.16
14	B_1u	753	715	0.26
15	B_2g	980	930	0.00
16	B_2g	737	700	0.00
17	B_2g	225	214	0.00
18	B_2u	3240	3076	7.20
19	B_2u	1641	1558	24.63
20	B_2u	1351	1283	83.24
21	B_2u	1086	1031	35.93
22	B_2u	400	380	25.20
23	B_3g	3212	3050	0.00
24	B_3g	1429	1357	0.00
25	B_3g	1251	1187	0.00
26	B_3g	592	562	0.00
27	B_3g	433	411	0.00
28	B_3u	909	863	101.21
29	B_3u	507	481	6.59
30	B_3u	94	89	13.05

Atom	y (Å)	z (Å)
C1	0.000	1.464
C2	0.000	-1.464
C3	1.286	0.688
C4	-1.286	0.688
C5	-1.286	-0.688
C6	1.286	-0.688
O7	0.000	2.715
O8	0.000	-2.715
H9	2.212	1.274
H10	-2.212	1.274
H11	-2.212	-1.274
H12	2.212	-1.274

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9271	1.5019	1.5019	2.5070	2.5070	1.2512	4.1782	2.2206	2.2206	3.5195	3.5195
C2	2.9271		2.5070	2.5070	1.5019	1.5019	4.1782	1.2512	3.5195	3.5195	2.2206	2.2206
C3	1.5019	2.5070		2.5728	2.9179	1.3766	2.4002	3.6380	1.0955	3.5475	4.0114	2.1695
C4	1.5019	2.5070	2.5728		1.3766	2.9179	2.4002	3.6380	3.5475	1.0955	2.1695	4.0114
C5	2.5070	1.5019	2.9179	1.3766		2.5728	3.6380	2.4002	4.0114	2.1695	1.0955	3.5475
C6	2.5070	1.5019	1.3766	2.9179	2.5728		3.6380	2.4002	2.1695	4.0114	3.5475	1.0955
O7	1.2512	4.1782	2.4002	2.4002	3.6380	3.6380		5.4294	2.6404	2.6404	4.5609	4.5609
O8	4.1782	1.2512	3.6380	3.6380	2.4002	2.4002	5.4294		4.5609	4.5609	2.6404	2.6404
H9	2.2206	3.5195	1.0955	3.5475	4.0114	2.1695	2.6404	4.5609		4.4249	5.1057	2.5472
H10	2.2206	3.5195	3.5475	1.0955	2.1695	4.0114	2.6404	4.5609	4.4249		2.5472	5.1057
H11	3.5195	2.2206	4.0114	2.1695	1.0955	3.5475	4.5609	2.6404	5.1057	2.5472		4.4249
H12	3.5195	2.2206	2.1695	4.0114	3.5475	1.0955	4.5609	2.6404	2.5472	5.1057	4.4249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.075	C1	C3	H9	116.629
C1	C4	C5	121.075	C1	C4	H10	116.629
C2	C5	C4	121.075	C2	C5	H11	116.629
C2	C6	C3	121.075	C2	C6	H12	116.629
C3	C1	C4	117.849	C3	C1	O7	121.075
C3	C6	H12	122.295	C4	C1	O7	121.075
C4	C5	H11	122.295	C5	C2	C6	117.849
C5	C2	O8	121.075	C5	C4	H10	122.295
C6	C2	O8	121.075	C6	C3	H9	122.295

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)