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	hartrees
Energy at 0K	-377.902747
Energy at 298.15K	-377.907207
Nuclear repulsion energy	317.972769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3187	3063	0.00
2	A_g	1699	1633	0.00
3	A_g	1618	1555	0.00
4	A_g	1212	1165	0.00
5	A_g	730	702	0.00
6	A_g	457	439	0.00
7	A_u	1034	994	0.00
8	A_u	363	349	0.00
9	B_1g	782	751	0.00
10	B_1u	3164	3041	1.25
11	B_1u	1661	1596	131.25
12	B_1u	1405	1350	3.10
13	B_1u	943	907	8.19
14	B_1u	724	696	0.06
15	B_2g	1028	988	0.00
16	B_2g	803	772	0.00
17	B_2g	265	255	0.00
18	B_2u	3184	3060	9.95
19	B_2u	1637	1573	8.11
20	B_2u	1305	1254	39.03
21	B_2u	1062	1021	86.56
22	B_2u	389	374	19.82
23	B_3g	3164	3041	0.00
24	B_3g	1395	1341	0.00
25	B_3g	1208	1161	0.00
26	B_3g	595	571	0.00
27	B_3g	456	438	0.00
28	B_3u	923	887	99.54
29	B_3u	517	497	8.53
30	B_3u	96	92	9.75

Atom	y (Å)	z (Å)
C1	0.000	1.472
C2	0.000	-1.472
C3	1.273	0.674
C4	-1.273	0.674
C5	-1.273	-0.674
C6	1.273	-0.674
O7	0.000	2.724
O8	0.000	-2.724
H9	2.196	1.253
H10	-2.196	1.253
H11	-2.196	-1.253
H12	2.196	-1.253

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9450	1.5028	1.5028	2.4961	2.4961	1.2513	4.1962	2.2065	2.2065	3.5001	3.5001
C2	2.9450		2.4961	2.4961	1.5028	1.5028	4.1962	1.2513	3.5001	3.5001	2.2065	2.2065
C3	1.5028	2.4961		2.5468	2.8819	1.3488	2.4128	3.6289	1.0889	3.5169	3.9686	2.1370
C4	1.5028	2.4961	2.5468		1.3488	2.8819	2.4128	3.6289	3.5169	1.0889	2.1370	3.9686
C5	2.4961	1.5028	2.8819	1.3488		2.5468	3.6289	2.4128	3.9686	2.1370	1.0889	3.5169
C6	2.4961	1.5028	1.3488	2.8819	2.5468		3.6289	2.4128	2.1370	3.9686	3.5169	1.0889
O7	1.2513	4.1962	2.4128	2.4128	3.6289	3.6289		5.4475	2.6424	2.6424	4.5430	4.5430
O8	4.1962	1.2513	3.6289	3.6289	2.4128	2.4128	5.4475		4.5430	4.5430	2.6424	2.6424
H9	2.2065	3.5001	1.0889	3.5169	3.9686	2.1370	2.6424	4.5430		4.3911	5.0563	2.5068
H10	2.2065	3.5001	3.5169	1.0889	2.1370	3.9686	2.6424	4.5430	4.3911		2.5068	5.0563
H11	3.5001	2.2065	3.9686	2.1370	1.0889	3.5169	4.5430	2.6424	5.0563	2.5068		4.3911
H12	3.5001	2.2065	2.1370	3.9686	3.5169	1.0889	4.5430	2.6424	2.5068	5.0563	4.3911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.077	C1	C3	H9	115.800
C1	C4	C5	122.077	C1	C4	H10	115.800
C2	C5	C4	122.077	C2	C5	H11	115.800
C2	C6	C3	122.077	C2	C6	H12	115.800
C3	C1	C4	115.847	C3	C1	O7	122.077
C3	C6	H12	122.123	C4	C1	O7	122.077
C4	C5	H11	122.123	C5	C2	C6	115.847
C5	C2	O8	122.077	C5	C4	H10	122.123
C6	C2	O8	122.077	C6	C3	H9	122.123

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)