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	hartrees
Energy at 0K	-379.700633
Energy at 298.15K	-379.705219
Nuclear repulsion energy	321.073446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3316	3109	0.00
2	A_g	1833	1719	0.00
3	A_g	1727	1619	0.00
4	A_g	1246	1169	0.00
5	A_g	804	754	0.00
6	A_g	476	446	0.00
7	A_u	1035	971	0.00
8	A_u	364	341	0.00
9	B_1g	782	734	0.00
10	B_1u	3292	3087	0.12
11	B_1u	1787	1676	305.50
12	B_1u	1461	1370	1.73
13	B_1u	997	935	12.90
14	B_1u	789	740	1.56
15	B_2g	1019	956	0.00
16	B_2g	736	690	0.00
17	B_2g	231	217	0.00
18	B_2u	3312	3106	6.36
19	B_2u	1751	1642	13.29
20	B_2u	1397	1310	67.69
21	B_2u	1145	1074	53.51
22	B_2u	424	397	34.65
23	B_3g	3292	3087	0.00
24	B_3g	1473	1382	0.00
25	B_3g	1318	1236	0.00
26	B_3g	639	599	0.00
27	B_3g	483	453	0.00
28	B_3u	910	853	120.21
29	B_3u	518	486	2.76
30	B_3u	94	88	18.47

Atom	y (Å)	z (Å)
C1	0.000	1.441
C2	0.000	-1.441
C3	1.273	0.671
C4	-1.273	0.671
C5	-1.273	-0.671
C6	1.273	-0.671
O7	0.000	2.681
O8	0.000	-2.681
H9	2.184	1.254
H10	-2.184	1.254
H11	-2.184	-1.254
H12	2.184	-1.254

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8815	1.4877	1.4877	2.4657	2.4657	1.2406	4.1221	2.1921	2.1921	3.4688	3.4688
C2	2.8815		2.4657	2.4657	1.4877	1.4877	4.1221	1.2406	3.4688	3.4688	2.1921	2.1921
C3	1.4877	2.4657		2.5460	2.8780	1.3419	2.3796	3.5858	1.0818	3.5060	3.9570	2.1298
C4	1.4877	2.4657	2.5460		1.3419	2.8780	2.3796	3.5858	3.5060	1.0818	2.1298	3.9570
C5	2.4657	1.4877	2.8780	1.3419		2.5460	3.5858	2.3796	3.9570	2.1298	1.0818	3.5060
C6	2.4657	1.4877	1.3419	2.8780	2.5460		3.5858	2.3796	2.1298	3.9570	3.5060	1.0818
O7	1.2406	4.1221	2.3796	2.3796	3.5858	3.5858		5.3627	2.6091	2.6091	4.5009	4.5009
O8	4.1221	1.2406	3.5858	3.5858	2.3796	2.3796	5.3627		4.5009	4.5009	2.6091	2.6091
H9	2.1921	3.4688	1.0818	3.5060	3.9570	2.1298	2.6091	4.5009		4.3683	5.0372	2.5083
H10	2.1921	3.4688	3.5060	1.0818	2.1298	3.9570	2.6091	4.5009	4.3683		2.5083	5.0372
H11	3.4688	2.1921	3.9570	2.1298	1.0818	3.5060	4.5009	2.6091	5.0372	2.5083		4.3683
H12	3.4688	2.1921	2.1298	3.9570	3.5060	1.0818	4.5009	2.6091	2.5083	5.0372	4.3683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.163	C1	C3	H9	116.214
C1	C4	C5	121.163	C1	C4	H10	116.214
C2	C5	C4	121.163	C2	C5	H11	116.214
C2	C6	C3	121.163	C2	C6	H12	116.214
C3	C1	C4	117.675	C3	C1	O7	121.163
C3	C6	H12	122.623	C4	C1	O7	121.163
C4	C5	H11	122.623	C5	C2	C6	117.675
C5	C2	O8	121.163	C5	C4	H10	122.623
C6	C2	O8	121.163	C6	C3	H9	122.623

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CISD/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)