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	hartrees
Energy at 0K	-67.735579
Energy at 298.15K
Nuclear repulsion energy	160.614497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3080	0.00
2	A_g	1672	1593	0.00
3	A_g	1606	1530	0.00
4	A_g	1164	1109	0.00
5	A_g	774	737	0.00
6	A_g	442	421	0.00
7	A_u	872	831	0.00
8	A_u	269	256	0.00
9	B_1g	727	693	0.00
10	B_1u	3214	3062	0.80
11	B_1u	1658	1580	192.51
12	B_1u	1375	1310	4.75
13	B_1u	942	898	11.88
14	B_1u	747	712	0.05
15	B_2g	888	846	0.00
16	B_2g	520	496	0.00
17	B_2g	317i	302i	0.00
18	B_2u	3231	3078	6.90
19	B_2u	1608	1533	21.59
20	B_2u	1338	1274	74.24
21	B_2u	1087	1035	43.14
22	B_2u	400	381	23.86
23	B_3g	3215	3063	0.00
24	B_3g	1414	1347	0.00
25	B_3g	1243	1185	0.00
26	B_3g	595	567	0.00
27	B_3g	438	417	0.00
28	B_3u	861	820	98.10
29	B_3u	481	459	4.94
30	B_3u	78	75	12.72

Atom	y (Å)	z (Å)
C1	0.000	1.450
C2	0.000	-1.450
C3	1.278	0.679
C4	-1.278	0.679
C5	-1.278	-0.679
C6	1.278	-0.679
O7	0.000	2.696
O8	0.000	-2.696
H9	2.196	1.264
H10	-2.196	1.264
H11	-2.196	-1.264
H12	2.196	-1.264

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9006	1.4927	1.4927	2.4840	2.4840	1.2455	4.1461	2.2041	2.2041	3.4916	3.4916
C2	2.9006		2.4840	2.4840	1.4927	1.4927	4.1461	1.2455	3.4916	3.4916	2.2041	2.2041
C3	1.4927	2.4840		2.5566	2.8953	1.3589	2.3874	3.6093	1.0883	3.5233	3.9811	2.1494
C4	1.4927	2.4840	2.5566		1.3589	2.8953	2.3874	3.6093	3.5233	1.0883	2.1494	3.9811
C5	2.4840	1.4927	2.8953	1.3589		2.5566	3.6093	2.3874	3.9811	2.1494	1.0883	3.5233
C6	2.4840	1.4927	1.3589	2.8953	2.5566		3.6093	2.3874	2.1494	3.9811	3.5233	1.0883
O7	1.2455	4.1461	2.3874	2.3874	3.6093	3.6093		5.3917	2.6217	2.6217	4.5281	4.5281
O8	4.1461	1.2455	3.6093	3.6093	2.3874	2.3874	5.3917		4.5281	4.5281	2.6217	2.6217
H9	2.2041	3.4916	1.0883	3.5233	3.9811	2.1494	2.6217	4.5281		4.3924	5.0680	2.5281
H10	2.2041	3.4916	3.5233	1.0883	2.1494	3.9811	2.6217	4.5281	4.3924		2.5281	5.0680
H11	3.4916	2.2041	3.9811	2.1494	1.0883	3.5233	4.5281	2.6217	5.0680	2.5281		4.3924
H12	3.4916	2.2041	2.1494	3.9811	3.5233	1.0883	4.5281	2.6217	2.5281	5.0680	4.3924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.091	C1	C3	H9	116.417
C1	C4	C5	121.091	C1	C4	H10	116.417
C2	C5	C4	121.091	C2	C5	H11	116.417
C2	C6	C3	121.091	C2	C6	H12	116.417
C3	C1	C4	117.818	C3	C1	O7	121.091
C3	C6	H12	122.492	C4	C1	O7	121.091
C4	C5	H11	122.492	C5	C2	C6	117.818
C5	C2	O8	121.091	C5	C4	H10	122.492
C6	C2	O8	121.091	C6	C3	H9	122.492

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)