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	hartrees
Energy at 0K	-380.243455
Energy at 298.15K	-380.248075
Nuclear repulsion energy	324.533587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3340	3090	0.00
2	A_g	1929	1785	0.00
3	A_g	1795	1661	0.00
4	A_g	1228	1136	0.00
5	A_g	807	747	0.00
6	A_g	470	435	0.00
7	A_u	1060	981	0.00
8	A_u	354	327	0.00
9	B_1g	798	738	0.00
10	B_1u	3319	3071	1.85
11	B_1u	1913	1770	500.60
12	B_1u	1456	1347	5.21
13	B_1u	994	920	13.92
14	B_1u	790	731	0.15
15	B_2g	1050	972	0.00
16	B_2g	813	752	0.00
17	B_2g	217	200	0.00
18	B_2u	3337	3088	5.58
19	B_2u	1775	1642	14.17
20	B_2u	1398	1293	90.00
21	B_2u	1143	1058	49.93
22	B_2u	435	403	31.95
23	B_3g	3319	3071	0.00
24	B_3g	1485	1374	0.00
25	B_3g	1305	1207	0.00
26	B_3g	632	585	0.00
27	B_3g	470	435	0.00
28	B_3u	959	887	108.63
29	B_3u	538	498	3.67
30	B_3u	92	85	14.62

Atom	y (Å)	z (Å)
C1	0.000	1.440
C2	0.000	-1.440
C3	1.268	0.664
C4	-1.268	0.664
C5	-1.268	-0.664
C6	1.268	-0.664
O7	0.000	2.639
O8	0.000	-2.639
H9	2.176	1.246
H10	-2.176	1.246
H11	-2.176	-1.246
H12	2.176	-1.246

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8801	1.4867	1.4867	2.4567	2.4567	1.1988	4.0790	2.1844	2.1844	3.4566	3.4566
C2	2.8801		2.4567	2.4567	1.4867	1.4867	4.0790	1.1988	3.4566	3.4566	2.1844	2.1844
C3	1.4867	2.4567		2.5362	2.8629	1.3281	2.3470	3.5380	1.0781	3.4926	3.9380	2.1146
C4	1.4867	2.4567	2.5362		1.3281	2.8629	2.3470	3.5380	3.4926	1.0781	2.1146	3.9380
C5	2.4567	1.4867	2.8629	1.3281		2.5362	3.5380	2.3470	3.9380	2.1146	1.0781	3.4926
C6	2.4567	1.4867	1.3281	2.8629	2.5362		3.5380	2.3470	2.1146	3.9380	3.4926	1.0781
O7	1.1988	4.0790	2.3470	2.3470	3.5380	3.5380		5.2778	2.5834	2.5834	4.4526	4.4526
O8	4.0790	1.1988	3.5380	3.5380	2.3470	2.3470	5.2778		4.4526	4.4526	2.5834	2.5834
H9	2.1844	3.4566	1.0781	3.4926	3.9380	2.1146	2.5834	4.4526		4.3514	5.0144	2.4918
H10	2.1844	3.4566	3.4926	1.0781	2.1146	3.9380	2.5834	4.4526	4.3514		2.4918	5.0144
H11	3.4566	2.1844	3.9380	2.1146	1.0781	3.4926	4.4526	2.5834	5.0144	2.4918		4.3514
H12	3.4566	2.1844	2.1146	3.9380	3.4926	1.0781	4.4526	2.5834	2.4918	5.0144	4.3514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.465	C1	C3	H9	115.871
C1	C4	C5	121.465	C1	C4	H10	115.871
C2	C5	C4	121.465	C2	C5	H11	115.871
C2	C6	C3	121.465	C2	C6	H12	115.871
C3	C1	C4	117.071	C3	C1	O7	121.465
C3	C6	H12	122.664	C4	C1	O7	121.465
C4	C5	H11	122.664	C5	C2	C6	117.071
C5	C2	O8	121.465	C5	C4	H10	122.664
C6	C2	O8	121.465	C6	C3	H9	122.664

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)