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	hartrees
Energy at 0K	-377.887249
Energy at 298.15K	-377.891789
Nuclear repulsion energy	318.689315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3197	3109	0.00
2	A_g	1722	1675	0.00
3	A_g	1652	1606	0.00
4	A_g	1219	1185	0.00
5	A_g	741	720	0.00
6	A_g	460	448	0.00
7	A_u	1036	1007	0.00
8	A_u	370	360	0.00
9	B_1g	781	760	0.00
10	B_1u	3175	3087	1.52
11	B_1u	1706	1659	50.88
12	B_1u	1415	1375	6.41
13	B_1u	951	925	3.99
14	B_1u	736	715	0.00
15	B_2g	1029	1001	0.00
16	B_2g	809	786	0.00
17	B_2g	271	264	0.00
18	B_2u	3194	3106	10.06
19	B_2u	1654	1608	7.37
20	B_2u	1314	1277	40.72
21	B_2u	1075	1045	80.89
22	B_2u	395	384	20.59
23	B_3g	3175	3087	0.00
24	B_3g	1406	1367	0.00
25	B_3g	1231	1197	0.00
26	B_3g	604	588	0.00
27	B_3g	463	450	0.00
28	B_3u	924	898	97.41
29	B_3u	520	505	9.66
30	B_3u	98	95	9.63

Atom	y (Å)	z (Å)
C1	0.000	1.469
C2	0.000	-1.469
C3	1.271	0.673
C4	-1.271	0.673
C5	-1.271	-0.673
C6	1.271	-0.673
O7	0.000	2.715
O8	0.000	-2.715
H9	2.194	1.251
H10	-2.194	1.251
H11	-2.194	-1.251
H12	2.194	-1.251

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9387	1.5001	1.5001	2.4916	2.4916	1.2461	4.1849	2.2046	2.2046	3.4949	3.4949
C2	2.9387		2.4916	2.4916	1.5001	1.5001	4.1849	1.2461	3.4949	3.4949	2.2046	2.2046
C3	1.5001	2.4916		2.5430	2.8776	1.3468	2.4056	3.6196	1.0884	3.5131	3.9639	2.1342
C4	1.5001	2.4916	2.5430		1.3468	2.8776	2.4056	3.6196	3.5131	1.0884	2.1342	3.9639
C5	2.4916	1.5001	2.8776	1.3468		2.5430	3.6196	2.4056	3.9639	2.1342	1.0884	3.5131
C6	2.4916	1.5001	1.3468	2.8776	2.5430		3.6196	2.4056	2.1342	3.9639	3.5131	1.0884
O7	1.2461	4.1849	2.4056	2.4056	3.6196	3.6196		5.4310	2.6376	2.6376	4.5330	4.5330
O8	4.1849	1.2461	3.6196	3.6196	2.4056	2.4056	5.4310		4.5330	4.5330	2.6376	2.6376
H9	2.2046	3.4949	1.0884	3.5131	3.9639	2.1342	2.6376	4.5330		4.3876	5.0511	2.5025
H10	2.2046	3.4949	3.5131	1.0884	2.1342	3.9639	2.6376	4.5330	4.3876		2.5025	5.0511
H11	3.4949	2.2046	3.9639	2.1342	1.0884	3.5131	4.5330	2.6376	5.0511	2.5025		4.3876
H12	3.4949	2.2046	2.1342	3.9639	3.5131	1.0884	4.5330	2.6376	2.5025	5.0511	4.3876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.047	C1	C3	H9	115.886
C1	C4	C5	122.047	C1	C4	H10	115.886
C2	C5	C4	122.047	C2	C5	H11	115.886
C2	C6	C3	122.047	C2	C6	H12	115.886
C3	C1	C4	115.906	C3	C1	O7	122.047
C3	C6	H12	122.068	C4	C1	O7	122.047
C4	C5	H11	122.068	C5	C2	C6	115.906
C5	C2	O8	122.047	C5	C4	H10	122.068
C6	C2	O8	122.047	C6	C3	H9	122.068

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)