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	hartrees
Energy at 0K	-379.254153
Energy at 298.15K	-379.258963
Nuclear repulsion energy	324.807573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3390	3066	0.00
2	A_g	2000	1809	0.00
3	A_g	1843	1666	0.00
4	A_g	1263	1142	0.00
5	A_g	820	742	0.00
6	A_g	482	436	0.00
7	A_u	1128	1020	0.00
8	A_u	376	340	0.00
9	B_1g	831	751	0.00
10	B_1u	3371	3048	0.65
11	B_1u	1978	1789	776.07
12	B_1u	1503	1359	3.43
13	B_1u	1027	928	15.87
14	B_1u	807	730	0.33
15	B_2g	1113	1006	0.00
16	B_2g	839	759	0.00
17	B_2g	240	217	0.00
18	B_2u	3389	3064	2.99
19	B_2u	1822	1647	9.12
20	B_2u	1431	1294	104.02
21	B_2u	1175	1062	43.53
22	B_2u	449	406	36.83
23	B_3g	3371	3048	0.00
24	B_3g	1528	1382	0.00
25	B_3g	1340	1211	0.00
26	B_3g	647	585	0.00
27	B_3g	490	443	0.00
28	B_3u	986	891	125.35
29	B_3u	559	505	2.67
30	B_3u	94	85	18.84

Atom	y (Å)	z (Å)
C1	0.000	1.437
C2	0.000	-1.437
C3	1.273	0.662
C4	-1.273	0.662
C5	-1.273	-0.662
C6	1.273	-0.662
O7	0.000	2.632
O8	0.000	-2.632
H9	2.177	1.244
H10	-2.177	1.244
H11	-2.177	-1.244
H12	2.177	-1.244

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8732	1.4896	1.4896	2.4547	2.4547	1.1949	4.0681	2.1854	2.1854	3.4528	3.4528
C2	2.8732		2.4547	2.4547	1.4896	1.4896	4.0681	1.1949	3.4528	3.4528	2.1854	2.1854
C3	1.4896	2.4547		2.5452	2.8694	1.3248	2.3446	3.5312	1.0749	3.4981	3.9410	2.1096
C4	1.4896	2.4547	2.5452		1.3248	2.8694	2.3446	3.5312	3.4981	1.0749	2.1096	3.9410
C5	2.4547	1.4896	2.8694	1.3248		2.5452	3.5312	2.3446	3.9410	2.1096	1.0749	3.4981
C6	2.4547	1.4896	1.3248	2.8694	2.5452		3.5312	2.3446	2.1096	3.9410	3.4981	1.0749
O7	1.1949	4.0681	2.3446	2.3446	3.5312	3.5312		5.2631	2.5817	2.5817	4.4446	4.4446
O8	4.0681	1.1949	3.5312	3.5312	2.3446	2.3446	5.2631		4.4446	4.4446	2.5817	2.5817
H9	2.1854	3.4528	1.0749	3.4981	3.9410	2.1096	2.5817	4.4446		4.3537	5.0140	2.4871
H10	2.1854	3.4528	3.4981	1.0749	2.1096	3.9410	2.5817	4.4446	4.3537		2.4871	5.0140
H11	3.4528	2.1854	3.9410	2.1096	1.0749	3.4981	4.4446	2.5817	5.0140	2.4871		4.3537
H12	3.4528	2.1854	2.1096	3.9410	3.4981	1.0749	4.4446	2.5817	2.4871	5.0140	4.3537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.314	C1	C3	H9	115.959
C1	C4	C5	121.314	C1	C4	H10	115.959
C2	C5	C4	121.314	C2	C5	H11	115.959
C2	C6	C3	121.314	C2	C6	H12	115.959
C3	C1	C4	117.373	C3	C1	O7	121.314
C3	C6	H12	122.727	C4	C1	O7	121.314
C4	C5	H11	122.727	C5	C2	C6	117.373
C5	C2	O8	121.314	C5	C4	H10	122.727
C6	C2	O8	121.314	C6	C3	H9	122.727

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/6-31+G**

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	-0.143
2	C	-0.143
3	C	0.113
4	C	0.113
5	C	0.113
6	C	0.113
7	O	-0.498
8	O	-0.498
9	H	0.207
10	H	0.207
11	H	0.207
12	H	0.207

<r²>	241.146
(<r²>)^1/2	15.529

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)