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	hartrees
Energy at 0K	-380.418812
Energy at 298.15K
Nuclear repulsion energy	321.635147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3285	3085	0.00
2	A_g	1704	1600	0.00
3	A_g	1640	1540	0.00
4	A_g	1185	1113	0.00
5	A_g	793	745	0.00
6	A_g	453	425	0.00
7	A_u	955	897	0.00
8	A_u	299	281	0.00
9	B_1g	737	692	0.00
10	B_1u	3267	3068	0.14
11	B_1u	1688	1585	205.06
12	B_1u	1405	1320	4.00
13	B_1u	958	900	12.20
14	B_1u	765	718	0.12
15	B_2g	953	895	0.00
16	B_2g	567	532	0.00
17	B_2g	35i	33i	0.00
18	B_2u	3284	3084	2.50
19	B_2u	1645	1545	20.72
20	B_2u	1358	1276	73.37
21	B_2u	1105	1038	37.72
22	B_2u	409	384	24.24
23	B_3g	3267	3068	0.00
24	B_3g	1438	1350	0.00
25	B_3g	1271	1194	0.00
26	B_3g	606	570	0.00
27	B_3g	452	425	0.00
28	B_3u	860	808	88.17
29	B_3u	495	465	4.52
30	B_3u	81	76	14.07

Atom	y (Å)	z (Å)
C1	0.000	1.438
C2	0.000	-1.438
C3	1.266	0.675
C4	-1.266	0.675
C5	-1.266	-0.675
C6	1.266	-0.675
O7	0.000	2.678
O8	0.000	-2.678
H9	2.180	1.255
H10	-2.180	1.255
H11	-2.180	-1.255
H12	2.180	-1.255

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8766	1.4785	1.4785	2.4637	2.4637	1.2400	4.1166	2.1873	2.1873	3.4650	3.4650
C2	2.8766		2.4637	2.4637	1.4785	1.4785	4.1166	1.2400	3.4650	3.4650	2.1873	2.1873
C3	1.4785	2.4637		2.5324	2.8699	1.3502	2.3699	3.5845	1.0821	3.4943	3.9497	2.1356
C4	1.4785	2.4637	2.5324		1.3502	2.8699	2.3699	3.5845	3.4943	1.0821	2.1356	3.9497
C5	2.4637	1.4785	2.8699	1.3502		2.5324	3.5845	2.3699	3.9497	2.1356	1.0821	3.4943
C6	2.4637	1.4785	1.3502	2.8699	2.5324		3.5845	2.3699	2.1356	3.9497	3.4943	1.0821
O7	1.2400	4.1166	2.3699	2.3699	3.5845	3.5845		5.3566	2.6030	2.6030	4.4971	4.4971
O8	4.1166	1.2400	3.5845	3.5845	2.3699	2.3699	5.3566		4.4971	4.4971	2.6030	2.6030
H9	2.1873	3.4650	1.0821	3.4943	3.9497	2.1356	2.6030	4.4971		4.3592	5.0305	2.5107
H10	2.1873	3.4650	3.4943	1.0821	2.1356	3.9497	2.6030	4.4971	4.3592		2.5107	5.0305
H11	3.4650	2.1873	3.9497	2.1356	1.0821	3.4943	4.4971	2.6030	5.0305	2.5107		4.3592
H12	3.4650	2.1873	2.1356	3.9497	3.4943	1.0821	4.4971	2.6030	2.5107	5.0305	4.3592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.081	C1	C3	H9	116.493
C1	C4	C5	121.081	C1	C4	H10	116.493
C2	C5	C4	121.081	C2	C5	H11	116.493
C2	C6	C3	121.081	C2	C6	H12	116.493
C3	C1	C4	117.839	C3	C1	O7	121.081
C3	C6	H12	122.427	C4	C1	O7	121.081
C4	C5	H11	122.427	C5	C2	C6	117.839
C5	C2	O8	121.081	C5	C4	H10	122.427
C6	C2	O8	121.081	C6	C3	H9	122.427

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)