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	hartrees
Energy at 0K	-374.829008
Energy at 298.15K	-374.832942
Nuclear repulsion energy	312.715707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3508	3118	0.00
2	A_g	1755	1560	0.00
3	A_g	1614	1435	0.00
4	A_g	1246	1108	0.00
5	A_g	779	692	0.00
6	A_g	450	400	0.00
7	A_u	1082	962	0.00
8	A_u	376	334	0.00
9	B_1g	777	690	0.00
10	B_1u	3488	3100	7.36
11	B_1u	1668	1483	4.27
12	B_1u	1485	1320	2.76
13	B_1u	971	863	0.67
14	B_1u	777	691	3.03
15	B_2g	1083	963	0.00
16	B_2g	783	696	0.00
17	B_2g	244	217	0.00
18	B_2u	3507	3117	0.12
19	B_2u	1717	1526	7.91
20	B_2u	1368	1216	71.68
21	B_2u	1143	1016	24.16
22	B_2u	388	345	11.22
23	B_3g	3488	3101	0.00
24	B_3g	1510	1343	0.00
25	B_3g	1284	1141	0.00
26	B_3g	619	550	0.00
27	B_3g	458	407	0.00
28	B_3u	891	792	29.62
29	B_3u	486	432	0.85
30	B_3u	83	74	3.26

Atom	y (Å)	z (Å)
C1	0.000	1.499
C2	0.000	-1.499
C3	1.293	0.680
C4	-1.293	0.680
C5	-1.293	-0.680
C6	1.293	-0.680
O7	0.000	2.776
O8	0.000	-2.776
H9	2.238	1.248
H10	-2.238	1.248
H11	-2.238	-1.248
H12	2.238	-1.248

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9974	1.5298	1.5298	2.5335	2.5335	1.2776	4.2749	2.2522	2.2522	3.5434	3.5434
C2	2.9974		2.5335	2.5335	1.5298	1.5298	4.2749	1.2776	3.5434	3.5434	2.2522	2.2522
C3	1.5298	2.5335		2.5850	2.9213	1.3607	2.4624	3.6904	1.1032	3.5761	4.0232	2.1481
C4	1.5298	2.5335	2.5850		1.3607	2.9213	2.4624	3.6904	3.5761	1.1032	2.1481	4.0232
C5	2.5335	1.5298	2.9213	1.3607		2.5850	3.6904	2.4624	4.0232	2.1481	1.1032	3.5761
C6	2.5335	1.5298	1.3607	2.9213	2.5850		3.6904	2.4624	2.1481	4.0232	3.5761	1.1032
O7	1.2776	4.2749	2.4624	2.4624	3.6904	3.6904		5.5525	2.7100	2.7100	4.6051	4.6051
O8	4.2749	1.2776	3.6904	3.6904	2.4624	2.4624	5.5525		4.6051	4.6051	2.7100	2.7100
H9	2.2522	3.5434	1.1032	3.5761	4.0232	2.1481	2.7100	4.6051		4.4764	5.1256	2.4967
H10	2.2522	3.5434	3.5761	1.1032	2.1481	4.0232	2.7100	4.6051	4.4764		2.4967	5.1256
H11	3.5434	2.2522	4.0232	2.1481	1.1032	3.5761	4.6051	2.7100	5.1256	2.4967		4.4764
H12	3.5434	2.2522	2.1481	4.0232	3.5761	1.1032	4.6051	2.7100	2.4967	5.1256	4.4764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.339	C1	C3	H9	116.671
C1	C4	C5	122.339	C1	C4	H10	116.671
C2	C5	C4	122.339	C2	C5	H11	116.671
C2	C6	C3	122.339	C2	C6	H12	116.671
C3	C1	C4	115.322	C3	C1	O7	122.339
C3	C6	H12	120.989	C4	C1	O7	122.339
C4	C5	H11	120.989	C5	C2	C6	115.322
C5	C2	O8	122.339	C5	C4	H10	120.989
C6	C2	O8	122.339	C6	C3	H9	120.989

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)