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	hartrees
Energy at 0K	-378.943083
Energy at 298.15K	-378.947815
HF Energy	-378.943083
Nuclear repulsion energy	321.877580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3253	3133	0.00
2	A_g	1743	1679	0.00
3	A_g	1685	1623	0.00
4	A_g	1214	1170	0.00
5	A_g	780	751	0.00
6	A_g	469	452	0.00
7	A_u	1103	1063	0.00
8	A_u	377	363	0.00
9	B_1g	817	787	0.00
10	B_1u	3231	3112	0.29
11	B_1u	1727	1664	178.44
12	B_1u	1415	1363	8.04
13	B_1u	965	929	14.71
14	B_1u	762	735	1.38
15	B_2g	1117	1076	0.00
16	B_2g	873	841	0.00
17	B_2g	295	284	0.00
18	B_2u	3249	3130	3.04
19	B_2u	1680	1618	19.38
20	B_2u	1333	1285	48.38
21	B_2u	1092	1052	81.81
22	B_2u	401	386	22.30
23	B_3g	3231	3112	0.00
24	B_3g	1413	1362	0.00
25	B_3g	1243	1197	0.00
26	B_3g	615	593	0.00
27	B_3g	457	440	0.00
28	B_3u	976	941	111.39
29	B_3u	549	528	13.80
30	B_3u	110	106	10.43

Atom	y (Å)	z (Å)
C1	0.000	1.453
C2	0.000	-1.453
C3	1.253	0.669
C4	-1.253	0.669
C5	-1.253	-0.669
C6	1.253	-0.669
O7	0.000	2.693
O8	0.000	-2.693
H9	2.170	1.247
H10	-2.170	1.247
H11	-2.170	-1.247
H12	2.170	-1.247

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9054	1.4780	1.4780	2.4640	2.4640	1.2401	4.1454	2.1793	2.1793	3.4637	3.4637
C2	2.9054		2.4640	2.4640	1.4780	1.4780	4.1454	1.2401	3.4637	3.4637	2.1793	2.1793
C3	1.4780	2.4640		2.5061	2.8408	1.3378	2.3803	3.5876	1.0838	3.4711	3.9225	2.1241
C4	1.4780	2.4640	2.5061		1.3378	2.8408	2.3803	3.5876	3.4711	1.0838	2.1241	3.9225
C5	2.4640	1.4780	2.8408	1.3378		2.5061	3.5876	2.3803	3.9225	2.1241	1.0838	3.4711
C6	2.4640	1.4780	1.3378	2.8408	2.5061		3.5876	2.3803	2.1241	3.9225	3.4711	1.0838
O7	1.2401	4.1454	2.3803	2.3803	3.5876	3.5876		5.3855	2.6070	2.6070	4.4979	4.4979
O8	4.1454	1.2401	3.5876	3.5876	2.3803	2.3803	5.3855		4.4979	4.4979	2.6070	2.6070
H9	2.1793	3.4637	1.0838	3.4711	3.9225	2.1241	2.6070	4.4979		4.3392	5.0051	2.4946
H10	2.1793	3.4637	3.4711	1.0838	2.1241	3.9225	2.6070	4.4979	4.3392		2.4946	5.0051
H11	3.4637	2.1793	3.9225	2.1241	1.0838	3.4711	4.4979	2.6070	5.0051	2.4946		4.3392
H12	3.4637	2.1793	2.1241	3.9225	3.4711	1.0838	4.4979	2.6070	2.4946	5.0051	4.3392

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.026	C1	C3	H9	115.721
C1	C4	C5	122.026	C1	C4	H10	115.721
C2	C5	C4	122.026	C2	C5	H11	115.721
C2	C6	C3	122.026	C2	C6	H12	115.721
C3	C1	C4	115.949	C3	C1	O7	122.026
C3	C6	H12	122.254	C4	C1	O7	122.026
C4	C5	H11	122.254	C5	C2	C6	115.949
C5	C2	O8	122.026	C5	C4	H10	122.254
C6	C2	O8	122.026	C6	C3	H9	122.254

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HSEh1PBE/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: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)