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	hartrees
Energy at 0K	-377.866426
Energy at 298.15K	-377.870942
Nuclear repulsion energy	318.107334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3230	3083	0.00
2	A_g	1652	1577	0.00
3	A_g	1544	1474	0.00
4	A_g	1217	1161	0.00
5	A_g	745	711	0.00
6	A_g	459	438	0.00
7	A_u	1035	988	0.00
8	A_u	367	350	0.00
9	B_1g	787	751	0.00
10	B_1u	3207	3061	1.50
11	B_1u	1588	1516	40.94
12	B_1u	1407	1343	7.38
13	B_1u	949	906	6.26
14	B_1u	732	699	0.06
15	B_2g	1028	981	0.00
16	B_2g	810	773	0.00
17	B_2g	268	256	0.00
18	B_2u	3227	3080	7.78
19	B_2u	1607	1534	13.27
20	B_2u	1315	1256	39.32
21	B_2u	1072	1023	87.24
22	B_2u	387	370	18.31
23	B_3g	3207	3061	0.00
24	B_3g	1407	1343	0.00
25	B_3g	1221	1165	0.00
26	B_3g	600	572	0.00
27	B_3g	455	434	0.00
28	B_3u	934	892	98.77
29	B_3u	525	501	11.06
30	B_3u	99	95	8.90

Atom	y (Å)	z (Å)
C1	0.000	1.468
C2	0.000	-1.468
C3	1.266	0.676
C4	-1.266	0.676
C5	-1.266	-0.676
C6	1.266	-0.676
O7	0.000	2.731
O8	0.000	-2.731
H9	2.188	1.250
H10	-2.188	1.250
H11	-2.188	-1.250
H12	2.188	-1.250

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9359	1.4933	1.4933	2.4897	2.4897	1.2631	4.1990	2.1989	2.1989	3.4890	3.4890
C2	2.9359		2.4897	2.4897	1.4933	1.4933	4.1990	1.2631	3.4890	3.4890	2.1989	2.1989
C3	1.4933	2.4897		2.5319	2.8701	1.3518	2.4138	3.6345	1.0861	3.5013	3.9545	2.1350
C4	1.4933	2.4897	2.5319		1.3518	2.8701	2.4138	3.6345	3.5013	1.0861	2.1350	3.9545
C5	2.4897	1.4933	2.8701	1.3518		2.5319	3.6345	2.4138	3.9545	2.1350	1.0861	3.5013
C6	2.4897	1.4933	1.3518	2.8701	2.5319		3.6345	2.4138	2.1350	3.9545	3.5013	1.0861
O7	1.2631	4.1990	2.4138	2.4138	3.6345	3.6345		5.4621	2.6424	2.6424	4.5424	4.5424
O8	4.1990	1.2631	3.6345	3.6345	2.4138	2.4138	5.4621		4.5424	4.5424	2.6424	2.6424
H9	2.1989	3.4890	1.0861	3.5013	3.9545	2.1350	2.6424	4.5424		4.3761	5.0396	2.4993
H10	2.1989	3.4890	3.5013	1.0861	2.1350	3.9545	2.6424	4.5424	4.3761		2.4993	5.0396
H11	3.4890	2.1989	3.9545	2.1350	1.0861	3.5013	4.5424	2.6424	5.0396	2.4993		4.3761
H12	3.4890	2.1989	2.1350	3.9545	3.5013	1.0861	4.5424	2.6424	2.4993	5.0396	4.3761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.034	C1	C3	H9	116.076
C1	C4	C5	122.034	C1	C4	H10	116.076
C2	C5	C4	122.034	C2	C5	H11	116.076
C2	C6	C3	122.034	C2	C6	H12	116.076
C3	C1	C4	115.933	C3	C1	O7	122.034
C3	C6	H12	121.891	C4	C1	O7	122.034
C4	C5	H11	121.891	C5	C2	C6	115.933
C5	C2	O8	122.034	C5	C4	H10	121.891
C6	C2	O8	122.034	C6	C3	H9	121.891

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)