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	hartrees
Energy at 0K	-379.373445
Energy at 298.15K	-379.378347
Nuclear repulsion energy	325.873064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3360	3059	0.00
2	A_g	1980	1802	0.00
3	A_g	1833	1668	0.00
4	A_g	1258	1145	0.00
5	A_g	814	741	0.00
6	A_g	482	439	0.00
7	A_u	1135	1033	0.00
8	A_u	380	346	0.00
9	B_1g	840	765	0.00
10	B_1u	3340	3040	1.27
11	B_1u	1960	1784	770.66
12	B_1u	1501	1366	3.76
13	B_1u	1027	935	14.47
14	B_1u	803	731	0.12
15	B_2g	1144	1041	0.00
16	B_2g	899	818	0.00
17	B_2g	257	234	0.00
18	B_2u	3359	3058	3.52
19	B_2u	1809	1647	11.17
20	B_2u	1424	1297	101.17
21	B_2u	1169	1064	40.38
22	B_2u	451	410	34.19
23	B_3g	3339	3040	0.00
24	B_3g	1522	1385	0.00
25	B_3g	1336	1217	0.00
26	B_3g	646	588	0.00
27	B_3g	489	446	0.00
28	B_3u	1011	920	103.07
29	B_3u	567	516	2.78
30	B_3u	96	87	17.99

Atom	y (Å)	z (Å)
C1	0.000	1.432
C2	0.000	-1.432
C3	1.270	0.659
C4	-1.270	0.659
C5	-1.270	-0.659
C6	1.270	-0.659
O7	0.000	2.621
O8	0.000	-2.621
H9	2.172	1.240
H10	-2.172	1.240
H11	-2.172	-1.240
H12	2.172	-1.240

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8649	1.4871	1.4871	2.4473	2.4473	1.1884	4.0533	2.1808	2.1808	3.4439	3.4439
C2	2.8649		2.4473	2.4473	1.4871	1.4871	4.0533	1.1884	3.4439	3.4439	2.1808	2.1808
C3	1.4871	2.4473		2.5407	2.8626	1.3187	2.3369	3.5176	1.0726	3.4913	3.9318	2.1025
C4	1.4871	2.4473	2.5407		1.3187	2.8626	2.3369	3.5176	3.4913	1.0726	2.1025	3.9318
C5	2.4473	1.4871	2.8626	1.3187		2.5407	3.5176	2.3369	3.9318	2.1025	1.0726	3.4913
C6	2.4473	1.4871	1.3187	2.8626	2.5407		3.5176	2.3369	2.1025	3.9318	3.4913	1.0726
O7	1.1884	4.0533	2.3369	2.3369	3.5176	3.5176		5.2417	2.5741	2.5741	4.4299	4.4299
O8	4.0533	1.1884	3.5176	3.5176	2.3369	2.3369	5.2417		4.4299	4.4299	2.5741	2.5741
H9	2.1808	3.4439	1.0726	3.4913	3.9318	2.1025	2.5741	4.4299		4.3446	5.0025	2.4798
H10	2.1808	3.4439	3.4913	1.0726	2.1025	3.9318	2.5741	4.4299	4.3446		2.4798	5.0025
H11	3.4439	2.1808	3.9318	2.1025	1.0726	3.4913	4.4299	2.5741	5.0025	2.4798		4.3446
H12	3.4439	2.1808	2.1025	3.9318	3.4913	1.0726	4.4299	2.5741	2.4798	5.0025	4.3446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.323	C1	C3	H9	115.908
C1	C4	C5	121.323	C1	C4	H10	115.908
C2	C5	C4	121.323	C2	C5	H11	115.908
C2	C6	C3	121.323	C2	C6	H12	115.908
C3	C1	C4	117.354	C3	C1	O7	121.323
C3	C6	H12	122.769	C4	C1	O7	121.323
C4	C5	H11	122.769	C5	C2	C6	117.354
C5	C2	O8	121.323	C5	C4	H10	122.769
C6	C2	O8	121.323	C6	C3	H9	122.769

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/aug-cc-pVTZ

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	1.079
2	C	1.079
3	C	-0.606
4	C	-0.606
5	C	-0.606
6	C	-0.606
7	O	-1.018
8	O	-1.018
9	H	0.575
10	H	0.575
11	H	0.575
12	H	0.575

<r²>	239.362
(<r²>)^1/2	15.471

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)