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	hartrees
Energy at 0K	-380.365008
Energy at 298.15K	-380.369280
Nuclear repulsion energy	321.256552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3235	3081	0.00
2	A_g	1805	1719	0.00
3	A_g	1702	1621	0.00
4	A_g	1192	1135	0.00
5	A_g	785	747	0.00
6	A_g	455	433	0.00
7	A_u	969	923	0.00
8	A_u	323	308	0.00
9	B_1g	748	712	0.00
10	B_1u	3216	3063	1.42
11	B_1u	1782	1697	312.10
12	B_1u	1407	1340	4.55
13	B_1u	963	917	11.34
14	B_1u	763	726	0.02
15	B_2g	963	917	0.00
16	B_2g	711	677	0.00
17	B_2g	192	183	0.00
18	B_2u	3233	3079	6.18
19	B_2u	1694	1614	13.99
20	B_2u	1360	1295	77.43
21	B_2u	1108	1055	43.79
22	B_2u	414	394	27.79
23	B_3g	3216	3063	0.00
24	B_3g	1435	1367	0.00
25	B_3g	1269	1208	0.00
26	B_3g	608	579	0.00
27	B_3g	455	433	0.00
28	B_3u	883	841	94.16
29	B_3u	503	479	2.10
30	B_3u	88	83	13.44

Atom	y (Å)	z (Å)
C1	0.000	1.447
C2	0.000	-1.447
C3	1.274	0.672
C4	-1.274	0.672
C5	-1.274	-0.672
C6	1.274	-0.672
O7	0.000	2.674
O8	0.000	-2.674
H9	2.189	1.261
H10	-2.189	1.261
H11	-2.189	-1.261
H12	2.189	-1.261

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8945	1.4907	1.4907	2.4728	2.4728	1.2272	4.1217	2.1974	2.1974	3.4823	3.4823
C2	2.8945		2.4728	2.4728	1.4907	1.4907	4.1217	1.2272	3.4823	3.4823	2.1974	2.1974
C3	1.4907	2.4728		2.5471	2.8803	1.3448	2.3728	3.5809	1.0885	3.5126	3.9660	2.1390
C4	1.4907	2.4728	2.5471		1.3448	2.8803	2.3728	3.5809	3.5126	1.0885	2.1390	3.9660
C5	2.4728	1.4907	2.8803	1.3448		2.5471	3.5809	2.3728	3.9660	2.1390	1.0885	3.5126
C6	2.4728	1.4907	1.3448	2.8803	2.5471		3.5809	2.3728	2.1390	3.9660	3.5126	1.0885
O7	1.2272	4.1217	2.3728	2.3728	3.5809	3.5809		5.3489	2.6063	2.6063	4.5031	4.5031
O8	4.1217	1.2272	3.5809	3.5809	2.3728	2.3728	5.3489		4.5031	4.5031	2.6063	2.6063
H9	2.1974	3.4823	1.0885	3.5126	3.9660	2.1390	2.6063	4.5031		4.3789	5.0529	2.5212
H10	2.1974	3.4823	3.5126	1.0885	2.1390	3.9660	2.6063	4.5031	4.3789		2.5212	5.0529
H11	3.4823	2.1974	3.9660	2.1390	1.0885	3.5126	4.5031	2.6063	5.0529	2.5212		4.3789
H12	3.4823	2.1974	2.1390	3.9660	3.5126	1.0885	4.5031	2.6063	2.5212	5.0529	4.3789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.318	C1	C3	H9	115.974
C1	C4	C5	121.318	C1	C4	H10	115.974
C2	C5	C4	121.318	C2	C5	H11	115.974
C2	C6	C3	121.318	C2	C6	H12	115.974
C3	C1	C4	117.365	C3	C1	O7	121.318
C3	C6	H12	122.709	C4	C1	O7	121.318
C4	C5	H11	122.709	C5	C2	C6	117.365
C5	C2	O8	121.318	C5	C4	H10	122.709
C6	C2	O8	121.318	C6	C3	H9	122.709

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)