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	hartrees
Energy at 0K	-66.609970
Energy at 298.15K	-66.614719
Nuclear repulsion energy	161.734598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3423	3074	0.00
2	A_g	2004	1800	0.00
3	A_g	1846	1658	0.00
4	A_g	1247	1120	0.00
5	A_g	821	738	0.00
6	A_g	467	419	0.00
7	A_u	1108	995	0.00
8	A_u	362	325	0.00
9	B_1g	839	754	0.00
10	B_1u	3395	3049	3.25
11	B_1u	1976	1774	813.66
12	B_1u	1486	1334	2.84
13	B_1u	1006	903	12.66
14	B_1u	800	719	0.57
15	B_2g	1104	992	0.00
16	B_2g	854	767	0.00
17	B_2g	251	225	0.00
18	B_2u	3421	3072	13.29
19	B_2u	1832	1646	8.95
20	B_2u	1432	1286	117.53
21	B_2u	1165	1046	37.13
22	B_2u	442	397	38.81
23	B_3g	3397	3050	0.00
24	B_3g	1526	1370	0.00
25	B_3g	1331	1196	0.00
26	B_3g	635	570	0.00
27	B_3g	470	423	0.00
28	B_3u	999	897	106.14
29	B_3u	568	510	1.37
30	B_3u	100	90	18.49

Atom	y (Å)	z (Å)
C1	0.000	1.454
C2	0.000	-1.454
C3	1.287	0.673
C4	-1.287	0.673
C5	-1.287	-0.673
C6	1.287	-0.673
O7	0.000	2.658
O8	0.000	-2.658
H9	2.196	1.256
H10	-2.196	1.256
H11	-2.196	-1.256
H12	2.196	-1.256

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9072	1.5057	1.5057	2.4859	2.4859	1.2049	4.1121	2.2045	2.2045	3.4873	3.4873
C2	2.9072		2.4859	2.4859	1.5057	1.5057	4.1121	1.2049	3.4873	3.4873	2.2045	2.2045
C3	1.5057	2.4859		2.5750	2.9055	1.3459	2.3664	3.5716	1.0790	3.5315	3.9814	2.1318
C4	1.5057	2.4859	2.5750		1.3459	2.9055	2.3664	3.5716	3.5315	1.0790	2.1318	3.9814
C5	2.4859	1.5057	2.9055	1.3459		2.5750	3.5716	2.3664	3.9814	2.1318	1.0790	3.5315
C6	2.4859	1.5057	1.3459	2.9055	2.5750		3.5716	2.3664	2.1318	3.9814	3.5315	1.0790
O7	1.2049	4.1121	2.3664	2.3664	3.5716	3.5716		5.3170	2.6054	2.6054	4.4880	4.4880
O8	4.1121	1.2049	3.5716	3.5716	2.3664	2.3664	5.3170		4.4880	4.4880	2.6054	2.6054
H9	2.2045	3.4873	1.0790	3.5315	3.9814	2.1318	2.6054	4.4880		4.3912	5.0587	2.5116
H10	2.2045	3.4873	3.5315	1.0790	2.1318	3.9814	2.6054	4.4880	4.3912		2.5116	5.0587
H11	3.4873	2.2045	3.9814	2.1318	1.0790	3.5315	4.4880	2.6054	5.0587	2.5116		4.3912
H12	3.4873	2.2045	2.1318	3.9814	3.5315	1.0790	4.4880	2.6054	2.5116	5.0587	4.3912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.229	C1	C3	H9	116.077
C1	C4	C5	121.229	C1	C4	H10	116.077
C2	C5	C4	121.229	C2	C5	H11	116.077
C2	C6	C3	121.229	C2	C6	H12	116.077
C3	C1	C4	117.541	C3	C1	O7	121.229
C3	C6	H12	122.694	C4	C1	O7	121.229
C4	C5	H11	122.694	C5	C2	C6	117.541
C5	C2	O8	121.229	C5	C4	H10	122.694
C6	C2	O8	121.229	C6	C3	H9	122.694

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.045
2	C	-0.045
3	C	-0.199
4	C	-0.199
5	C	-0.199
6	C	-0.199
7	O	-0.167
8	O	-0.167
9	H	0.305
10	H	0.305
11	H	0.305
12	H	0.305

<r²>	191.804
(<r²>)^1/2	13.849

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)