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	hartrees
Energy at 0K	-379.846793
Energy at 298.15K	-379.850972
Nuclear repulsion energy	317.398254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3222	3061	0.00
2	A_g	1654	1571	0.00
3	A_g	1519	1443	0.00
4	A_g	1198	1138	0.00
5	A_g	777	738	0.00
6	A_g	455	433	0.00
7	A_u	921	875	0.00
8	A_u	328	311	0.00
9	B_1g	723	687	0.00
10	B_1u	3200	3041	1.45
11	B_1u	1577	1498	43.61
12	B_1u	1396	1326	5.95
13	B_1u	957	910	6.68
14	B_1u	756	718	0.15
15	B_2g	925	879	0.00
16	B_2g	616	585	0.00
17	B_2g	193	183	0.00
18	B_2u	3220	3059	9.99
19	B_2u	1609	1529	19.48
20	B_2u	1345	1278	56.80
21	B_2u	1100	1045	52.51
22	B_2u	397	378	25.24
23	B_3g	3200	3041	0.00
24	B_3g	1416	1346	0.00
25	B_3g	1272	1209	0.00
26	B_3g	610	579	0.00
27	B_3g	461	438	0.00
28	B_3u	838	796	96.39
29	B_3u	485	461	4.66
30	B_3u	91	87	14.06

Atom	y (Å)	z (Å)
C1	0.000	1.450
C2	0.000	-1.450
C3	1.276	0.682
C4	-1.276	0.682
C5	-1.276	-0.682
C6	1.276	-0.682
O7	0.000	2.727
O8	0.000	-2.727
H9	2.197	1.265
H10	-2.197	1.265
H11	-2.197	-1.265
H12	2.197	-1.265

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9005	1.4893	1.4893	2.4850	2.4850	1.2765	4.1770	2.2052	2.2052	3.4928	3.4928
C2	2.9005		2.4850	2.4850	1.4893	1.4893	4.1770	1.2765	3.4928	3.4928	2.2052	2.2052
C3	1.4893	2.4850		2.5519	2.8938	1.3644	2.4100	3.6399	1.0902	3.5219	3.9818	2.1540
C4	1.4893	2.4850	2.5519		1.3644	2.8938	2.4100	3.6399	3.5219	1.0902	2.1540	3.9818
C5	2.4850	1.4893	2.8938	1.3644		2.5519	3.6399	2.4100	3.9818	2.1540	1.0902	3.5219
C6	2.4850	1.4893	1.3644	2.8938	2.5519		3.6399	2.4100	2.1540	3.9818	3.5219	1.0902
O7	1.2765	4.1770	2.4100	2.4100	3.6399	3.6399		5.4535	2.6393	2.6393	4.5564	4.5564
O8	4.1770	1.2765	3.6399	3.6399	2.4100	2.4100	5.4535		4.5564	4.5564	2.6393	2.6393
H9	2.2052	3.4928	1.0902	3.5219	3.9818	2.1540	2.6393	4.5564		4.3948	5.0708	2.5296
H10	2.2052	3.4928	3.5219	1.0902	2.1540	3.9818	2.6393	4.5564	4.3948		2.5296	5.0708
H11	3.4928	2.2052	3.9818	2.1540	1.0902	3.5219	4.5564	2.6393	5.0708	2.5296		4.3948
H12	3.4928	2.2052	2.1540	3.9818	3.5219	1.0902	4.5564	2.6393	2.5296	5.0708	4.3948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.046	C1	C3	H9	116.649
C1	C4	C5	121.046	C1	C4	H10	116.649
C2	C5	C4	121.046	C2	C5	H11	116.649
C2	C6	C3	121.046	C2	C6	H12	116.649
C3	C1	C4	117.909	C3	C1	O7	121.046
C3	C6	H12	122.305	C4	C1	O7	121.046
C4	C5	H11	122.305	C5	C2	C6	117.909
C5	C2	O8	121.046	C5	C4	H10	122.305
C6	C2	O8	121.046	C6	C3	H9	122.305

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)