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	hartrees
Energy at 0K	-380.378063
Energy at 298.15K	-380.382445
HF Energy	-379.232106
Nuclear repulsion energy	322.557872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3271	3070	0.00
2	A_g	1848	1734	0.00
3	A_g	1738	1630	0.00
4	A_g	1202	1128	0.00
5	A_g	798	748	0.00
6	A_g	461	433	0.00
7	A_u	981	920	0.00
8	A_u	332	311	0.00
9	B_1g	756	710	0.00
10	B_1u	3254	3053	0.46
11	B_1u	1846	1733	242.27
12	B_1u	1423	1335	6.53
13	B_1u	973	913	9.57
14	B_1u	776	728	0.49
15	B_2g	975	915	0.00
16	B_2g	727	682	0.00
17	B_2g	206	193	0.00
18	B_2u	3269	3068	3.59
19	B_2u	1714	1609	15.46
20	B_2u	1376	1292	82.34
21	B_2u	1121	1052	41.32
22	B_2u	422	396	29.82
23	B_3g	3254	3053	0.00
24	B_3g	1456	1366	0.00
25	B_3g	1286	1207	0.00
26	B_3g	620	581	0.00
27	B_3g	461	433	0.00
28	B_3u	894	839	94.79
29	B_3u	512	481	2.80
30	B_3u	92	87	13.77

Atom	y (Å)	z (Å)
C1	0.000	1.450
C2	0.000	-1.450
C3	1.271	0.671
C4	-1.271	0.671
C5	-1.271	-0.671
C6	1.271	-0.671
O7	0.000	2.667
O8	0.000	-2.667
H9	2.184	1.260
H10	-2.184	1.260
H11	-2.184	-1.260
H12	2.184	-1.260

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9009	1.4912	1.4912	2.4730	2.4730	1.2162	4.1171	2.1926	2.1926	3.4810	3.4810
C2	2.9009		2.4730	2.4730	1.4912	1.4912	4.1171	1.2162	3.4810	3.4810	2.1926	2.1926
C3	1.4912	2.4730		2.5424	2.8747	1.3417	2.3663	3.5714	1.0866	3.5053	3.9583	2.1358
C4	1.4912	2.4730	2.5424		1.3417	2.8747	2.3663	3.5714	3.5053	1.0866	2.1358	3.9583
C5	2.4730	1.4912	2.8747	1.3417		2.5424	3.5714	2.3663	3.9583	2.1358	1.0866	3.5053
C6	2.4730	1.4912	1.3417	2.8747	2.5424		3.5714	2.3663	2.1358	3.9583	3.5053	1.0866
O7	1.2162	4.1171	2.3663	2.3663	3.5714	3.5714		5.3333	2.5980	2.5980	4.4932	4.4932
O8	4.1171	1.2162	3.5714	3.5714	2.3663	2.3663	5.3333		4.4932	4.4932	2.5980	2.5980
H9	2.1926	3.4810	1.0866	3.5053	3.9583	2.1358	2.5980	4.4932		4.3685	5.0432	2.5199
H10	2.1926	3.4810	3.5053	1.0866	2.1358	3.9583	2.5980	4.4932	4.3685		2.5199	5.0432
H11	3.4810	2.1926	3.9583	2.1358	1.0866	3.5053	4.4932	2.5980	5.0432	2.5199		4.3685
H12	3.4810	2.1926	2.1358	3.9583	3.5053	1.0866	4.4932	2.5980	2.5199	5.0432	4.3685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.521	C1	C3	H9	115.648
C1	C4	C5	121.521	C1	C4	H10	115.648
C2	C5	C4	121.521	C2	C5	H11	115.648
C2	C6	C3	121.521	C2	C6	H12	115.648
C3	C1	C4	116.958	C3	C1	O7	121.521
C3	C6	H12	122.831	C4	C1	O7	121.521
C4	C5	H11	122.831	C5	C2	C6	116.958
C5	C2	O8	121.521	C5	C4	H10	122.831
C6	C2	O8	121.521	C6	C3	H9	122.831

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)