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	hartrees
Energy at 0K	-374.353348
Energy at 298.15K	-374.357850
Nuclear repulsion energy	320.294046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3734	3049	0.00
2	A_g	2073	1693	0.00
3	A_g	1989	1624	0.00
4	A_g	1351	1103	0.00
5	A_g	854	698	0.00
6	A_g	490	400	0.00
7	A_u	1222	998	0.00
8	A_u	426	348	0.00
9	B_1g	878	717	0.00
10	B_1u	3706	3026	64.01
11	B_1u	2055	1678	42.61
12	B_1u	1614	1318	4.41
13	B_1u	1053	860	1.40
14	B_1u	850	694	0.01
15	B_2g	1221	997	0.00
16	B_2g	883	721	0.00
17	B_2g	271	221	0.00
18	B_2u	3732	3047	5.56
19	B_2u	2000	1633	4.61
20	B_2u	1487	1214	82.22
21	B_2u	1251	1022	19.88
22	B_2u	435	355	20.95
23	B_3g	3705	3025	0.00
24	B_3g	1632	1333	0.00
25	B_3g	1395	1139	0.00
26	B_3g	679	554	0.00
27	B_3g	504	411	0.00
28	B_3u	1006	822	37.13
29	B_3u	545	445	0.20
30	B_3u	86	70	5.84

Atom	y (Å)	z (Å)
C1	0.000	1.464
C2	0.000	-1.464
C3	1.279	0.659
C4	-1.279	0.659
C5	-1.279	-0.659
C6	1.279	-0.659
O7	0.000	2.691
O8	0.000	-2.691
H9	2.201	1.230
H10	-2.201	1.230
H11	-2.201	-1.230
H12	2.201	-1.230

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9273	1.5116	1.5116	2.4780	2.4780	1.2274	4.1547	2.2132	2.2132	3.4782	3.4782
C2	2.9273		2.4780	2.4780	1.5116	1.5116	4.1547	1.2274	3.4782	3.4782	2.2132	2.2132
C3	1.5116	2.4780		2.5588	2.8779	1.3171	2.4016	3.5856	1.0841	3.5268	3.9595	2.1011
C4	1.5116	2.4780	2.5588		1.3171	2.8779	2.4016	3.5856	3.5268	1.0841	2.1011	3.9595
C5	2.4780	1.5116	2.8779	1.3171		2.5588	3.5856	2.4016	3.9595	2.1011	1.0841	3.5268
C6	2.4780	1.5116	1.3171	2.8779	2.5588		3.5856	2.4016	2.1011	3.9595	3.5268	1.0841
O7	1.2274	4.1547	2.4016	2.4016	3.5856	3.5856		5.3820	2.6418	2.6418	4.4962	4.4962
O8	4.1547	1.2274	3.5856	3.5856	2.4016	2.4016	5.3820		4.4962	4.4962	2.6418	2.6418
H9	2.2132	3.4782	1.0841	3.5268	3.9595	2.1011	2.6418	4.4962		4.4016	5.0422	2.4595
H10	2.2132	3.4782	3.5268	1.0841	2.1011	3.9595	2.6418	4.4962	4.4016		2.4595	5.0422
H11	3.4782	2.2132	3.9595	2.1011	1.0841	3.5268	4.4962	2.6418	5.0422	2.4595		4.4016
H12	3.4782	2.2132	2.1011	3.9595	3.5268	1.0841	4.4962	2.6418	2.4595	5.0422	4.4016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	122.181	C1	C3	H9	116.025
C1	C4	C5	122.181	C1	C4	H10	116.025
C2	C5	C4	122.181	C2	C5	H11	116.025
C2	C6	C3	122.181	C2	C6	H12	116.025
C3	C1	C4	115.637	C3	C1	O7	122.181
C3	C6	H12	121.794	C4	C1	O7	122.181
C4	C5	H11	121.794	C5	C2	C6	115.637
C5	C2	O8	122.181	C5	C4	H10	121.794
C6	C2	O8	122.181	C6	C3	H9	121.794

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.186
2	C	0.186
3	C	-0.073
4	C	-0.073
5	C	-0.073
6	C	-0.073
7	O	-0.202
8	O	-0.202
9	H	0.081
10	H	0.081
11	H	0.081
12	H	0.081

<r²>	244.050
(<r²>)^1/2	15.622

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)