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	hartrees
Energy at 0K	-381.321426
Energy at 298.15K	-381.325833
Nuclear repulsion energy	322.370081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3227	3099	0.00
2	A_g	1757	1687	0.00
3	A_g	1694	1626	0.00
4	A_g	1165	1118	0.00
5	A_g	783	752	0.00
6	A_g	453	435	0.00
7	A_u	1016	976	0.00
8	A_u	335	321	0.00
9	B_1g	753	723	0.00
10	B_1u	3208	3080	1.35
11	B_1u	1756	1686	443.63
12	B_1u	1382	1327	6.24
13	B_1u	948	911	17.63
14	B_1u	760	729	0.64
15	B_2g	1014	974	0.00
16	B_2g	785	753	0.00
17	B_2g	226	217	0.00
18	B_2u	3225	3097	3.42
19	B_2u	1661	1595	18.87
20	B_2u	1330	1277	81.26
21	B_2u	1087	1043	41.82
22	B_2u	412	396	25.13
23	B_3g	3209	3081	0.00
24	B_3g	1403	1347	0.00
25	B_3g	1240	1190	0.00
26	B_3g	602	578	0.00
27	B_3g	450	432	0.00
28	B_3u	901	865	86.49
29	B_3u	511	491	5.32
30	B_3u	92	88	14.88

Atom	y (Å)	z (Å)
C1	0.000	1.441
C2	0.000	-1.441
C3	1.268	0.672
C4	-1.268	0.672
C5	-1.268	-0.672
C6	1.268	-0.672
O7	0.000	2.665
O8	0.000	-2.665
H9	2.182	1.258
H10	-2.182	1.258
H11	-2.182	-1.258
H12	2.182	-1.258

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8814	1.4830	1.4830	2.4636	2.4636	1.2246	4.1059	2.1900	2.1900	3.4711	3.4711
C2	2.8814		2.4636	2.4636	1.4830	1.4830	4.1059	1.2246	3.4711	3.4711	2.1900	2.1900
C3	1.4830	2.4636		2.5360	2.8697	1.3431	2.3627	3.5696	1.0866	3.5000	3.9535	2.1357
C4	1.4830	2.4636	2.5360		1.3431	2.8697	2.3627	3.5696	3.5000	1.0866	2.1357	3.9535
C5	2.4636	1.4830	2.8697	1.3431		2.5360	3.5696	2.3627	3.9535	2.1357	1.0866	3.5000
C6	2.4636	1.4830	1.3431	2.8697	2.5360		3.5696	2.3627	2.1357	3.9535	3.5000	1.0866
O7	1.2246	4.1059	2.3627	2.3627	3.5696	3.5696		5.3305	2.5965	2.5965	4.4898	4.4898
O8	4.1059	1.2246	3.5696	3.5696	2.3627	2.3627	5.3305		4.4898	4.4898	2.5965	2.5965
H9	2.1900	3.4711	1.0866	3.5000	3.9535	2.1357	2.5965	4.4898		4.3648	5.0385	2.5170
H10	2.1900	3.4711	3.5000	1.0866	2.1357	3.9535	2.5965	4.4898	4.3648		2.5170	5.0385
H11	3.4711	2.1900	3.9535	2.1357	1.0866	3.5000	4.4898	2.5965	5.0385	2.5170		4.3648
H12	3.4711	2.1900	2.1357	3.9535	3.5000	1.0866	4.4898	2.5965	2.5170	5.0385	4.3648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.240	C1	C3	H9	116.067
C1	C4	C5	121.240	C1	C4	H10	116.067
C2	C5	C4	121.240	C2	C5	H11	116.067
C2	C6	C3	121.240	C2	C6	H12	116.067
C3	C1	C4	117.521	C3	C1	O7	121.240
C3	C6	H12	122.693	C4	C1	O7	121.240
C4	C5	H11	122.693	C5	C2	C6	117.521
C5	C2	O8	121.240	C5	C4	H10	122.693
C6	C2	O8	121.240	C6	C3	H9	122.693

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: B3PW91/6-31+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	-0.229
2	C	-0.229
3	C	0.140
4	C	0.140
5	C	0.140
6	C	0.140
7	O	-0.421
8	O	-0.421
9	H	0.185
10	H	0.185
11	H	0.185
12	H	0.185

<r²>	243.718
(<r²>)^1/2	15.611

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)