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	hartrees
Energy at 0K	-381.552209
Energy at 298.15K	-381.556676
Nuclear repulsion energy	322.635889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3195	3089	0.00
2	A_g	1740	1682	0.00
3	A_g	1680	1625	0.00
4	A_g	1163	1124	0.00
5	A_g	768	742	0.00
6	A_g	455	440	0.00
7	A_u	1026	992	0.00
8	A_u	338	327	0.00
9	B_1g	761	736	0.00
10	B_1u	3176	3070	3.20
11	B_1u	1742	1684	378.37
12	B_1u	1379	1333	5.88
13	B_1u	945	914	19.43
14	B_1u	753	728	0.36
15	B_2g	1027	993	0.00
16	B_2g	808	781	0.00
17	B_2g	234	226	0.00
18	B_2u	3192	3086	6.71
19	B_2u	1645	1590	16.88
20	B_2u	1309	1266	76.13
21	B_2u	1080	1044	56.64
22	B_2u	413	399	24.98
23	B_3g	3176	3071	0.00
24	B_3g	1390	1344	0.00
25	B_3g	1227	1186	0.00
26	B_3g	601	581	0.00
27	B_3g	455	440	0.00
28	B_3u	913	883	82.39
29	B_3u	516	499	4.36
30	B_3u	95	92	12.89

Atom	y (Å)	z (Å)
C1	0.000	1.445
C2	0.000	-1.445
C3	1.268	0.669
C4	-1.268	0.669
C5	-1.268	-0.669
C6	1.268	-0.669
O7	0.000	2.663
O8	0.000	-2.663
H9	2.179	1.257
H10	-2.179	1.257
H11	-2.179	-1.257
H12	2.179	-1.257

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8898	1.4862	1.4862	2.4653	2.4653	1.2181	4.1079	2.1874	2.1874	3.4712	3.4712
C2	2.8898		2.4653	2.4653	1.4862	1.4862	4.1079	1.2181	3.4712	3.4712	2.1874	2.1874
C3	1.4862	2.4653		2.5357	2.8675	1.3389	2.3626	3.5655	1.0844	3.4969	3.9490	2.1311
C4	1.4862	2.4653	2.5357		1.3389	2.8675	2.3626	3.5655	3.4969	1.0844	2.1311	3.9490
C5	2.4653	1.4862	2.8675	1.3389		2.5357	3.5655	2.3626	3.9490	2.1311	1.0844	3.4969
C6	2.4653	1.4862	1.3389	2.8675	2.5357		3.5655	2.3626	2.1311	3.9490	3.4969	1.0844
O7	1.2181	4.1079	2.3626	2.3626	3.5655	3.5655		5.3260	2.5935	2.5935	4.4851	4.4851
O8	4.1079	1.2181	3.5655	3.5655	2.3626	2.3626	5.3260		4.4851	4.4851	2.5935	2.5935
H9	2.1874	3.4712	1.0844	3.4969	3.9490	2.1311	2.5935	4.4851		4.3587	5.0317	2.5139
H10	2.1874	3.4712	3.4969	1.0844	2.1311	3.9490	2.5935	4.4851	4.3587		2.5139	5.0317
H11	3.4712	2.1874	3.9490	2.1311	1.0844	3.4969	4.4851	2.5935	5.0317	2.5139		4.3587
H12	3.4712	2.1874	2.1311	3.9490	3.4969	1.0844	4.4851	2.5935	2.5139	5.0317	4.3587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.450	C1	C3	H9	115.745
C1	C4	C5	121.450	C1	C4	H10	115.745
C2	C5	C4	121.450	C2	C5	H11	115.745
C2	C6	C3	121.450	C2	C6	H12	115.745
C3	C1	C4	117.100	C3	C1	O7	121.450
C3	C6	H12	122.805	C4	C1	O7	121.450
C4	C5	H11	122.805	C5	C2	C6	117.100
C5	C2	O8	121.450	C5	C4	H10	122.805
C6	C2	O8	121.450	C6	C3	H9	122.805

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: B3LYP/6-311G**

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	0.211
2	C	0.211
3	C	-0.096
4	C	-0.096
5	C	-0.096
6	C	-0.096
7	O	-0.278
8	O	-0.278
9	H	0.130
10	H	0.130
11	H	0.130
12	H	0.130

<r²>	243.235
(<r²>)^1/2	15.596

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)