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	hartrees
Energy at 0K	-379.861758
Energy at 298.15K	-379.865889
Nuclear repulsion energy	314.577815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3216	3104	0.00
2	A_g	1623	1566	0.00
3	A_g	1466	1415	0.00
4	A_g	1187	1146	0.00
5	A_g	755	728	0.00
6	A_g	443	427	0.00
7	A_u	911	880	0.00
8	A_u	331	320	0.00
9	B_1g	724	699	0.00
10	B_1u	3185	3075	1.23
11	B_1u	1532	1479	70.04
12	B_1u	1374	1326	3.41
13	B_1u	940	908	7.15
14	B_1u	735	710	0.00
15	B_2g	918	886	0.00
16	B_2g	693	669	0.00
17	B_2g	206	199	0.00
18	B_2u	3213	3102	17.45
19	B_2u	1578	1523	22.43
20	B_2u	1328	1281	51.23
21	B_2u	1077	1039	61.39
22	B_2u	387	373	25.60
23	B_3g	3185	3075	0.00
24	B_3g	1403	1354	0.00
25	B_3g	1258	1215	0.00
26	B_3g	598	578	0.00
27	B_3g	446	430	0.00
28	B_3u	868	838	101.31
29	B_3u	468	452	8.28
30	B_3u	84	81	15.95

Atom	y (Å)	z (Å)
C1	0.000	1.466
C2	0.000	-1.466
C3	1.288	0.689
C4	-1.288	0.689
C5	-1.288	-0.689
C6	1.288	-0.689
O7	0.000	2.752
O8	0.000	-2.752
H9	2.213	1.272
H10	-2.213	1.272
H11	-2.213	-1.272
H12	2.213	-1.272

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9325	1.5043	1.5043	2.5104	2.5104	1.2858	4.2184	2.2219	2.2219	3.5211	3.5211
C2	2.9325		2.5104	2.5104	1.5043	1.5043	4.2184	1.2858	3.5211	3.5211	2.2219	2.2219
C3	1.5043	2.5104		2.5755	2.9207	1.3773	2.4323	3.6739	1.0942	3.5494	4.0128	2.1684
C4	1.5043	2.5104	2.5755		1.3773	2.9207	2.4323	3.6739	3.5494	1.0942	2.1684	4.0128
C5	2.5104	1.5043	2.9207	1.3773		2.5755	3.6739	2.4323	4.0128	2.1684	1.0942	3.5494
C6	2.5104	1.5043	1.3773	2.9207	2.5755		3.6739	2.4323	2.1684	4.0128	3.5494	1.0942
O7	1.2858	4.2184	2.4323	2.4323	3.6739	3.6739		5.5042	2.6625	2.6625	4.5928	4.5928
O8	4.2184	1.2858	3.6739	3.6739	2.4323	2.4323	5.5042		4.5928	4.5928	2.6625	2.6625
H9	2.2219	3.5211	1.0942	3.5494	4.0128	2.1684	2.6625	4.5928		4.4267	5.1059	2.5444
H10	2.2219	3.5211	3.5494	1.0942	2.1684	4.0128	2.6625	4.5928	4.4267		2.5444	5.1059
H11	3.5211	2.2219	4.0128	2.1684	1.0942	3.5494	4.5928	2.6625	5.1059	2.5444		4.4267
H12	3.5211	2.2219	2.1684	4.0128	3.5494	1.0942	4.5928	2.6625	2.5444	5.1059	4.4267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.126	C1	C3	H9	116.645
C1	C4	C5	121.126	C1	C4	H10	116.645
C2	C5	C4	121.126	C2	C5	H11	116.645
C2	C6	C3	121.126	C2	C6	H12	116.645
C3	C1	C4	117.749	C3	C1	O7	121.126
C3	C6	H12	122.229	C4	C1	O7	121.126
C4	C5	H11	122.229	C5	C2	C6	117.749
C5	C2	O8	121.126	C5	C4	H10	122.229
C6	C2	O8	121.126	C6	C3	H9	122.229

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)