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	hartrees
Energy at 0K	-66.448271
Energy at 298.15K	-66.453079
Nuclear repulsion energy	161.600736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3386	3089	0.00
2	A_g	1900	1734	0.00
3	A_g	1764	1609	0.00
4	A_g	1276	1164	0.00
5	A_g	816	744	0.00
6	A_g	482	440	0.00
7	A_u	1088	993	0.00
8	A_u	390	356	0.00
9	B_1g	836	763	0.00
10	B_1u	3360	3066	0.01
11	B_1u	1848	1687	633.54
12	B_1u	1499	1368	0.01
13	B_1u	1023	934	18.96
14	B_1u	807	737	4.17
15	B_2g	1054	962	0.00
16	B_2g	799	729	0.00
17	B_2g	216	197	0.00
18	B_2u	3383	3087	10.40
19	B_2u	1790	1633	11.92
20	B_2u	1439	1313	72.94
21	B_2u	1175	1072	55.76
22	B_2u	434	396	43.49
23	B_3g	3359	3065	0.00
24	B_3g	1522	1389	0.00
25	B_3g	1356	1237	0.00
26	B_3g	653	596	0.00
27	B_3g	491	448	0.00
28	B_3u	980	894	136.30
29	B_3u	555	506	2.56
30	B_3u	101	92	22.56

Atom	y (Å)	z (Å)
C1	0.000	1.443
C2	0.000	-1.443
C3	1.280	0.670
C4	-1.280	0.670
C5	-1.280	-0.670
C6	1.280	-0.670
O7	0.000	2.675
O8	0.000	-2.675
H9	2.183	1.250
H10	-2.183	1.250
H11	-2.183	-1.250
H12	2.183	-1.250

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8869	1.4950	1.4950	2.4708	2.4708	1.2319	4.1188	2.1915	2.1915	3.4669	3.4669
C2	2.8869		2.4708	2.4708	1.4950	1.4950	4.1188	1.2319	3.4669	3.4669	2.1915	2.1915
C3	1.4950	2.4708		2.5590	2.8888	1.3404	2.3786	3.5819	1.0734	3.5106	3.9592	2.1221
C4	1.4950	2.4708	2.5590		1.3404	2.8888	2.3786	3.5819	3.5106	1.0734	2.1221	3.9592
C5	2.4708	1.4950	2.8888	1.3404		2.5590	3.5819	2.3786	3.9592	2.1221	1.0734	3.5106
C6	2.4708	1.4950	1.3404	2.8888	2.5590		3.5819	2.3786	2.1221	3.9592	3.5106	1.0734
O7	1.2319	4.1188	2.3786	2.3786	3.5819	3.5819		5.3507	2.6071	2.6071	4.4915	4.4915
O8	4.1188	1.2319	3.5819	3.5819	2.3786	2.3786	5.3507		4.4915	4.4915	2.6071	2.6071
H9	2.1915	3.4669	1.0734	3.5106	3.9592	2.1221	2.6071	4.4915		4.3658	5.0309	2.5000
H10	2.1915	3.4669	3.5106	1.0734	2.1221	3.9592	2.6071	4.4915	4.3658		2.5000	5.0309
H11	3.4669	2.1915	3.9592	2.1221	1.0734	3.5106	4.4915	2.6071	5.0309	2.5000		4.3658
H12	3.4669	2.1915	2.1221	3.9592	3.5106	1.0734	4.4915	2.6071	2.5000	5.0309	4.3658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.145	C1	C3	H9	116.163
C1	C4	C5	121.145	C1	C4	H10	116.163
C2	C5	C4	121.145	C2	C5	H11	116.163
C2	C6	C3	121.145	C2	C6	H12	116.163
C3	C1	C4	117.709	C3	C1	O7	121.145
C3	C6	H12	122.692	C4	C1	O7	121.145
C4	C5	H11	122.692	C5	C2	C6	117.709
C5	C2	O8	121.145	C5	C4	H10	122.692
C6	C2	O8	121.145	C6	C3	H9	122.692

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/CEP-121G

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	0.061
2	C	0.061
3	C	-0.147
4	C	-0.147
5	C	-0.147
6	C	-0.147
7	O	-0.222
8	O	-0.222
9	H	0.227
10	H	0.227
11	H	0.227
12	H	0.227

<r²>	193.054
(<r²>)^1/2	13.894

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)