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	hartrees
Energy at 0K	-380.400618
Energy at 298.15K	-380.404695
Nuclear repulsion energy	321.768839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3286	3096	0.00
2	A_g	1819	1714	0.00
3	A_g	1717	1618	0.00
4	A_g	1196	1127	0.00
5	A_g	790	744	0.00
6	A_g	457	431	0.00
7	A_u	964	908	0.00
8	A_u	308	290	0.00
9	B_1g	736	694	0.00
10	B_1u	3267	3078	0.53
11	B_1u	1807	1703	309.88
12	B_1u	1420	1338	2.70
13	B_1u	965	909	9.65
14	B_1u	770	726	0.02
15	B_2g	956	901	0.00
16	B_2g	606	571	0.00
17	B_2g	100	94	0.00
18	B_2u	3284	3094	4.59
19	B_2u	1704	1606	12.37
20	B_2u	1364	1285	79.28
21	B_2u	1113	1049	35.96
22	B_2u	418	394	27.55
23	B_3g	3267	3078	0.00
24	B_3g	1450	1366	0.00
25	B_3g	1280	1206	0.00
26	B_3g	613	578	0.00
27	B_3g	461	434	0.00
28	B_3u	865	815	92.78
29	B_3u	498	469	3.30
30	B_3u	80	75	14.77

Atom	y (Å)	z (Å)
C1	0.000	1.444
C2	0.000	-1.444
C3	1.274	0.672
C4	-1.274	0.672
C5	-1.274	-0.672
C6	1.274	-0.672
O7	0.000	2.669
O8	0.000	-2.669
H9	2.185	1.255
H10	-2.185	1.255
H11	-2.185	-1.255
H12	2.185	-1.255

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8879	1.4893	1.4893	2.4697	2.4697	1.2246	4.1125	2.1935	2.1935	3.4730	3.4730
C2	2.8879		2.4697	2.4697	1.4893	1.4893	4.1125	1.2246	3.4730	3.4730	2.1935	2.1935
C3	1.4893	2.4697		2.5474	2.8802	1.3441	2.3682	3.5752	1.0823	3.5079	3.9597	2.1321
C4	1.4893	2.4697	2.5474		1.3441	2.8802	2.3682	3.5752	3.5079	1.0823	2.1321	3.9597
C5	2.4697	1.4893	2.8802	1.3441		2.5474	3.5752	2.3682	3.9597	2.1321	1.0823	3.5079
C6	2.4697	1.4893	1.3441	2.8802	2.5474		3.5752	2.3682	2.1321	3.9597	3.5079	1.0823
O7	1.2246	4.1125	2.3682	2.3682	3.5752	3.5752		5.3371	2.6025	2.6025	4.4913	4.4913
O8	4.1125	1.2246	3.5752	3.5752	2.3682	2.3682	5.3371		4.4913	4.4913	2.6025	2.6025
H9	2.1935	3.4730	1.0823	3.5079	3.9597	2.1321	2.6025	4.4913		4.3707	5.0404	2.5105
H10	2.1935	3.4730	3.5079	1.0823	2.1321	3.9597	2.6025	4.4913	4.3707		2.5105	5.0404
H11	3.4730	2.1935	3.9597	2.1321	1.0823	3.5079	4.4913	2.6025	5.0404	2.5105		4.3707
H12	3.4730	2.1935	2.1321	3.9597	3.5079	1.0823	4.4913	2.6025	2.5105	5.0404	4.3707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.217	C1	C3	H9	116.174
C1	C4	C5	121.217	C1	C4	H10	116.174
C2	C5	C4	121.217	C2	C5	H11	116.174
C2	C6	C3	121.217	C2	C6	H12	116.174
C3	C1	C4	117.565	C3	C1	O7	121.217
C3	C6	H12	122.608	C4	C1	O7	121.217
C4	C5	H11	122.608	C5	C2	C6	117.565
C5	C2	O8	121.217	C5	C4	H10	122.608
C6	C2	O8	121.217	C6	C3	H9	122.608

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CCD/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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)