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	hartrees
Energy at 0K	-380.422250
Energy at 298.15K	-380.426645
Nuclear repulsion energy	319.941593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3236	3104	0.00
2	A_g	1800	1727	0.00
3	A_g	1693	1624	0.00
4	A_g	1156	1109	0.00
5	A_g	778	746	0.00
6	A_g	447	429	0.00
7	A_u	1008	968	0.00
8	A_u	332	319	0.00
9	B_1g	764	733	0.00
10	B_1u	3215	3084	1.81
11	B_1u	1780	1708	324.69
12	B_1u	1378	1322	4.02
13	B_1u	943	905	11.32
14	B_1u	755	725	0.01
15	B_2g	1005	964	0.00
16	B_2g	778	747	0.00
17	B_2g	218	209	0.00
18	B_2u	3234	3102	6.28
19	B_2u	1683	1615	14.42
20	B_2u	1334	1280	80.29
21	B_2u	1079	1035	41.40
22	B_2u	410	393	24.25
23	B_3g	3215	3084	0.00
24	B_3g	1418	1361	0.00
25	B_3g	1236	1186	0.00
26	B_3g	601	576	0.00
27	B_3g	446	428	0.00
28	B_3u	907	871	76.35
29	B_3u	512	491	2.72
30	B_3u	90	86	10.94

Atom	y (Å)	z (Å)
C1	0.000	1.461
C2	0.000	-1.461
C3	1.278	0.676
C4	-1.278	0.676
C5	-1.278	-0.676
C6	1.278	-0.676
O7	0.000	2.685
O8	0.000	-2.685
H9	2.202	1.266
H10	-2.202	1.266
H11	-2.202	-1.266
H12	2.202	-1.266

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9225	1.4995	1.4995	2.4904	2.4904	1.2233	4.1458	2.2102	2.2102	3.5050	3.5050
C2	2.9225		2.4904	2.4904	1.4995	1.4995	4.1458	1.2233	3.5050	3.5050	2.2102	2.2102
C3	1.4995	2.4904		2.5554	2.8915	1.3529	2.3801	3.5957	1.0960	3.5289	3.9848	2.1510
C4	1.4995	2.4904	2.5554		1.3529	2.8915	2.3801	3.5957	3.5289	1.0960	2.1510	3.9848
C5	2.4904	1.4995	2.8915	1.3529		2.5554	3.5957	2.3801	3.9848	2.1510	1.0960	3.5289
C6	2.4904	1.4995	1.3529	2.8915	2.5554		3.5957	2.3801	2.1510	3.9848	3.5289	1.0960
O7	1.2233	4.1458	2.3801	2.3801	3.5957	3.5957		5.3691	2.6190	2.6190	4.5226	4.5226
O8	4.1458	1.2233	3.5957	3.5957	2.3801	2.3801	5.3691		4.5226	4.5226	2.6190	2.6190
H9	2.2102	3.5050	1.0960	3.5289	3.9848	2.1510	2.6190	4.5226		4.4032	5.0793	2.5320
H10	2.2102	3.5050	3.5289	1.0960	2.1510	3.9848	2.6190	4.5226	4.4032		2.5320	5.0793
H11	3.5050	2.2102	3.9848	2.1510	1.0960	3.5289	4.5226	2.6190	5.0793	2.5320		4.4032
H12	3.5050	2.2102	2.1510	3.9848	3.5289	1.0960	4.5226	2.6190	2.5320	5.0793	4.4032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.559	C1	C3	H9	115.899
C1	C4	C5	121.559	C1	C4	H10	115.899
C2	C5	C4	121.559	C2	C5	H11	115.899
C2	C6	C3	121.559	C2	C6	H12	115.899
C3	C1	C4	116.883	C3	C1	O7	121.559
C3	C6	H12	122.542	C4	C1	O7	121.559
C4	C5	H11	122.542	C5	C2	C6	116.883
C5	C2	O8	121.559	C5	C4	H10	122.542
C6	C2	O8	121.559	C6	C3	H9	122.542

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)