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	hartrees
Energy at 0K	-379.266642
Energy at 298.15K	-379.271527
Nuclear repulsion energy	324.726610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3384	3072	0.00
2	A_g	2011	1826	0.00
3	A_g	1851	1680	0.00
4	A_g	1242	1127	0.00
5	A_g	823	747	0.00
6	A_g	482	437	0.00
7	A_u	1127	1023	0.00
8	A_u	378	343	0.00
9	B_1g	834	758	0.00
10	B_1u	3362	3053	1.46
11	B_1u	1991	1808	690.63
12	B_1u	1482	1346	5.37
13	B_1u	1018	924	14.92
14	B_1u	806	732	0.83
15	B_2g	1127	1023	0.00
16	B_2g	887	806	0.00
17	B_2g	260	236	0.00
18	B_2u	3382	3071	3.50
19	B_2u	1831	1662	11.74
20	B_2u	1425	1294	105.40
21	B_2u	1162	1056	43.96
22	B_2u	450	409	35.47
23	B_3g	3362	3053	0.00
24	B_3g	1521	1381	0.00
25	B_3g	1323	1201	0.00
26	B_3g	647	588	0.00
27	B_3g	486	441	0.00
28	B_3u	1004	911	108.36
29	B_3u	565	513	1.68
30	B_3u	100	90	16.44

Atom	y (Å)	z (Å)
C1	0.000	1.440
C2	0.000	-1.440
C3	1.271	0.663
C4	-1.271	0.663
C5	-1.271	-0.663
C6	1.271	-0.663
O7	0.000	2.632
O8	0.000	-2.632
H9	2.181	1.248
H10	-2.181	1.248
H11	-2.181	-1.248
H12	2.181	-1.248

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8798	1.4898	1.4898	2.4573	2.4573	1.1920	4.0718	2.1893	2.1893	3.4613	3.4613
C2	2.8798		2.4573	2.4573	1.4898	1.4898	4.0718	1.1920	3.4613	3.4613	2.1893	2.1893
C3	1.4898	2.4573		2.5425	2.8676	1.3261	2.3436	3.5317	1.0814	3.5013	3.9458	2.1165
C4	1.4898	2.4573	2.5425		1.3261	2.8676	2.3436	3.5317	3.5013	1.0814	2.1165	3.9458
C5	2.4573	1.4898	2.8676	1.3261		2.5425	3.5317	2.3436	3.9458	2.1165	1.0814	3.5013
C6	2.4573	1.4898	1.3261	2.8676	2.5425		3.5317	2.3436	2.1165	3.9458	3.5013	1.0814
O7	1.1920	4.0718	2.3436	2.3436	3.5317	3.5317		5.2638	2.5829	2.5829	4.4508	4.4508
O8	4.0718	1.1920	3.5317	3.5317	2.3436	2.3436	5.2638		4.4508	4.4508	2.5829	2.5829
H9	2.1893	3.4613	1.0814	3.5013	3.9458	2.1165	2.5829	4.4508		4.3617	5.0254	2.4959
H10	2.1893	3.4613	3.5013	1.0814	2.1165	3.9458	2.5829	4.4508	4.3617		2.4959	5.0254
H11	3.4613	2.1893	3.9458	2.1165	1.0814	3.5013	4.4508	2.5829	5.0254	2.4959		4.3617
H12	3.4613	2.1893	2.1165	3.9458	3.5013	1.0814	4.4508	2.5829	2.4959	5.0254	4.3617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.428	C1	C3	H9	115.830
C1	C4	C5	121.428	C1	C4	H10	115.830
C2	C5	C4	121.428	C2	C5	H11	115.830
C2	C6	C3	121.428	C2	C6	H12	115.830
C3	C1	C4	117.143	C3	C1	O7	121.428
C3	C6	H12	122.742	C4	C1	O7	121.428
C4	C5	H11	122.742	C5	C2	C6	117.143
C5	C2	O8	121.428	C5	C4	H10	122.742
C6	C2	O8	121.428	C6	C3	H9	122.742

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/cc-pVDZ

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	0.223
2	C	0.223
3	C	-0.023
4	C	-0.023
5	C	-0.023
6	C	-0.023
7	O	-0.294
8	O	-0.294
9	H	0.058
10	H	0.058
11	H	0.058
12	H	0.058

<r²>	240.670
(<r²>)^1/2	15.514

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)