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	hartrees
Energy at 0K	-380.395891
Energy at 298.15K	-380.400165
Nuclear repulsion energy	321.421972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3280	3088	0.00
2	A_g	1807	1701	0.00
3	A_g	1705	1605	0.00
4	A_g	1190	1120	0.00
5	A_g	784	738	0.00
6	A_g	454	427	0.00
7	A_u	984	926	0.00
8	A_u	319	300	0.00
9	B_1g	752	708	0.00
10	B_1u	3261	3070	1.55
11	B_1u	1783	1678	307.23
12	B_1u	1413	1330	3.52
13	B_1u	960	904	11.46
14	B_1u	763	718	0.00
15	B_2g	977	919	0.00
16	B_2g	696	655	0.00
17	B_2g	184	173	0.00
18	B_2u	3278	3086	7.28
19	B_2u	1697	1598	12.65
20	B_2u	1359	1279	82.55
21	B_2u	1107	1042	39.70
22	B_2u	413	389	27.34
23	B_3g	3261	3070	0.00
24	B_3g	1441	1357	0.00
25	B_3g	1267	1193	0.00
26	B_3g	607	572	0.00
27	B_3g	453	426	0.00
28	B_3u	883	831	86.08
29	B_3u	503	473	1.19
30	B_3u	86	81	13.17

Atom	y (Å)	z (Å)
C1	0.000	1.447
C2	0.000	-1.447
C3	1.273	0.672
C4	-1.273	0.672
C5	-1.273	-0.672
C6	1.273	-0.672
O7	0.000	2.674
O8	0.000	-2.674
H9	2.184	1.257
H10	-2.184	1.257
H11	-2.184	-1.257
H12	2.184	-1.257

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8946	1.4906	1.4906	2.4725	2.4725	1.2270	4.1216	2.1925	2.1925	3.4760	3.4760
C2	2.8946		2.4725	2.4725	1.4906	1.4906	4.1216	1.2270	3.4760	3.4760	2.1925	2.1925
C3	1.4906	2.4725		2.5465	2.8795	1.3444	2.3727	3.5805	1.0824	3.5065	3.9591	2.1332
C4	1.4906	2.4725	2.5465		1.3444	2.8795	2.3727	3.5805	3.5065	1.0824	2.1332	3.9591
C5	2.4725	1.4906	2.8795	1.3444		2.5465	3.5805	2.3727	3.9591	2.1332	1.0824	3.5065
C6	2.4725	1.4906	1.3444	2.8795	2.5465		3.5805	2.3727	2.1332	3.9591	3.5065	1.0824
O7	1.2270	4.1216	2.3727	2.3727	3.5805	3.5805		5.3485	2.6039	2.6039	4.4970	4.4970
O8	4.1216	1.2270	3.5805	3.5805	2.3727	2.3727	5.3485		4.4970	4.4970	2.6039	2.6039
H9	2.1925	3.4760	1.0824	3.5065	3.9591	2.1332	2.6039	4.4970		4.3685	5.0399	2.5134
H10	2.1925	3.4760	3.5065	1.0824	2.1332	3.9591	2.6039	4.4970	4.3685		2.5134	5.0399
H11	3.4760	2.1925	3.9591	2.1332	1.0824	3.5065	4.4970	2.6039	5.0399	2.5134		4.3685
H12	3.4760	2.1925	2.1332	3.9591	3.5065	1.0824	4.4970	2.6039	2.5134	5.0399	4.3685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.332	C1	C3	H9	115.982
C1	C4	C5	121.332	C1	C4	H10	115.982
C2	C5	C4	121.332	C2	C5	H11	115.982
C2	C6	C3	121.332	C2	C6	H12	115.982
C3	C1	C4	117.336	C3	C1	O7	121.332
C3	C6	H12	122.686	C4	C1	O7	121.332
C4	C5	H11	122.686	C5	C2	C6	117.336
C5	C2	O8	121.332	C5	C4	H10	122.686
C6	C2	O8	121.332	C6	C3	H9	122.686

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: QCISD/6-31G**

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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All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: QCISD/6-31G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)