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	hartrees
Energy at 0K	-380.574019
Energy at 298.15K	-380.578405
Nuclear repulsion energy	322.546072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3256	3076	0.00
2	A_g	1709	1614	0.00
3	A_g	1654	1562	0.00
4	A_g	1161	1097	0.00
5	A_g	786	743	0.00
6	A_g	444	419	0.00
7	A_u	1003	947	0.00
8	A_u	329	311	0.00
9	B_1g	768	725	0.00
10	B_1u	3237	3057	0.00
11	B_1u	1715	1620	155.55
12	B_1u	1377	1301	9.31
13	B_1u	941	889	10.59
14	B_1u	757	715	0.28
15	B_2g	1016	960	0.00
16	B_2g	790	746	0.00
17	B_2g	225	213	0.00
18	B_2u	3255	3074	1.05
19	B_2u	1635	1544	22.74
20	B_2u	1341	1267	71.82
21	B_2u	1080	1020	40.23
22	B_2u	409	386	23.67
23	B_3g	3238	3058	0.00
24	B_3g	1407	1329	0.00
25	B_3g	1236	1167	0.00
26	B_3g	601	568	0.00
27	B_3g	437	413	0.00
28	B_3u	909	858	65.77
29	B_3u	514	485	2.91
30	B_3u	91	86	11.41

Atom	y (Å)	z (Å)
C1	0.000	1.442
C2	0.000	-1.442
C3	1.264	0.673
C4	-1.264	0.673
C5	-1.264	-0.673
C6	1.264	-0.673
O7	0.000	2.668
O8	0.000	-2.668
H9	2.177	1.257
H10	-2.177	1.257
H11	-2.177	-1.257
H12	2.177	-1.257

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8835	1.4793	1.4793	2.4632	2.4632	1.2261	4.1095	2.1846	2.1846	3.4675	3.4675
C2	2.8835		2.4632	2.4632	1.4793	1.4793	4.1095	1.2261	3.4675	3.4675	2.1846	2.1846
C3	1.4793	2.4632		2.5273	2.8630	1.3452	2.3617	3.5714	1.0843	3.4898	3.9448	2.1351
C4	1.4793	2.4632	2.5273		1.3452	2.8630	2.3617	3.5714	3.4898	1.0843	2.1351	3.9448
C5	2.4632	1.4793	2.8630	1.3452		2.5273	3.5714	2.3617	3.9448	2.1351	1.0843	3.4898
C6	2.4632	1.4793	1.3452	2.8630	2.5273		3.5714	2.3617	2.1351	3.9448	3.4898	1.0843
O7	1.2261	4.1095	2.3617	2.3617	3.5714	3.5714		5.3356	2.5938	2.5938	4.4884	4.4884
O8	4.1095	1.2261	3.5714	3.5714	2.3617	2.3617	5.3356		4.4884	4.4884	2.5938	2.5938
H9	2.1846	3.4675	1.0843	3.4898	3.9448	2.1351	2.5938	4.4884		4.3535	5.0277	2.5148
H10	2.1846	3.4675	3.4898	1.0843	2.1351	3.9448	2.5938	4.4884	4.3535		2.5148	5.0277
H11	3.4675	2.1846	3.9448	2.1351	1.0843	3.4898	4.4884	2.5938	5.0277	2.5148		4.3535
H12	3.4675	2.1846	2.1351	3.9448	3.4898	1.0843	4.4884	2.5938	2.5148	5.0277	4.3535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.327	C1	C3	H9	116.036
C1	C4	C5	121.327	C1	C4	H10	116.036
C2	C5	C4	121.327	C2	C5	H11	116.036
C2	C6	C3	121.327	C2	C6	H12	116.036
C3	C1	C4	117.346	C3	C1	O7	121.327
C3	C6	H12	122.636	C4	C1	O7	121.327
C4	C5	H11	122.636	C5	C2	C6	117.346
C5	C2	O8	121.327	C5	C4	H10	122.636
C6	C2	O8	121.327	C6	C3	H9	122.636

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)