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	hartrees
Energy at 0K	-380.380377
Energy at 298.15K	-380.384755
Nuclear repulsion energy	320.163311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3248	3093	0.00
2	A_g	1715	1633	0.00
3	A_g	1651	1572	0.00
4	A_g	1148	1093	0.00
5	A_g	787	749	0.00
6	A_g	446	425	0.00
7	A_u	1002	955	0.00
8	A_u	329	314	0.00
9	B_1g	762	726	0.00
10	B_1u	3227	3074	0.78
11	B_1u	1715	1633	142.33
12	B_1u	1369	1304	7.85
13	B_1u	940	895	10.90
14	B_1u	758	722	0.26
15	B_2g	1001	953	0.00
16	B_2g	768	732	0.00
17	B_2g	218	208	0.00
18	B_2u	3246	3092	3.72
19	B_2u	1640	1562	22.26
20	B_2u	1335	1272	77.35
21	B_2u	1075	1024	42.02
22	B_2u	406	387	22.36
23	B_3g	3228	3075	0.00
24	B_3g	1418	1351	0.00
25	B_3g	1234	1175	0.00
26	B_3g	600	572	0.00
27	B_3g	441	420	0.00
28	B_3u	903	860	71.14
29	B_3u	511	486	4.18
30	B_3u	92	88	9.94

Atom	y (Å)	z (Å)
C1	0.000	1.456
C2	0.000	-1.456
C3	1.270	0.679
C4	-1.270	0.679
C5	-1.270	-0.679
C6	1.270	-0.679
O7	0.000	2.689
O8	0.000	-2.689
H9	2.196	1.265
H10	-2.196	1.265
H11	-2.196	-1.265
H12	2.196	-1.265

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9120	1.4889	1.4889	2.4842	2.4842	1.2332	4.1453	2.2040	2.2040	3.4960	3.4960
C2	2.9120		2.4842	2.4842	1.4889	1.4889	4.1453	1.2332	3.4960	3.4960	2.2040	2.2040
C3	1.4889	2.4842		2.5401	2.8803	1.3579	2.3779	3.5997	1.0953	3.5148	3.9734	2.1526
C4	1.4889	2.4842	2.5401		1.3579	2.8803	2.3779	3.5997	3.5148	1.0953	2.1526	3.9734
C5	2.4842	1.4889	2.8803	1.3579		2.5401	3.5997	2.3779	3.9734	2.1526	1.0953	3.5148
C6	2.4842	1.4889	1.3579	2.8803	2.5401		3.5997	2.3779	2.1526	3.9734	3.5148	1.0953
O7	1.2332	4.1453	2.3779	2.3779	3.5997	3.5997		5.3785	2.6174	2.6174	4.5225	4.5225
O8	4.1453	1.2332	3.5997	3.5997	2.3779	2.3779	5.3785		4.5225	4.5225	2.6174	2.6174
H9	2.2040	3.4960	1.0953	3.5148	3.9734	2.1526	2.6174	4.5225		4.3913	5.0675	2.5290
H10	2.2040	3.4960	3.5148	1.0953	2.1526	3.9734	2.6174	4.5225	4.3913		2.5290	5.0675
H11	3.4960	2.2040	3.9734	2.1526	1.0953	3.5148	4.5225	2.6174	5.0675	2.5290		4.3913
H12	3.4960	2.2040	2.1526	3.9734	3.5148	1.0953	4.5225	2.6174	2.5290	5.0675	4.3913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.461	C1	C3	H9	116.219
C1	C4	C5	121.461	C1	C4	H10	116.219
C2	C5	C4	121.461	C2	C5	H11	116.219
C2	C6	C3	121.461	C2	C6	H12	116.219
C3	C1	C4	117.078	C3	C1	O7	121.461
C3	C6	H12	122.320	C4	C1	O7	121.461
C4	C5	H11	122.320	C5	C2	C6	117.078
C5	C2	O8	121.461	C5	C4	H10	122.320
C6	C2	O8	121.461	C6	C3	H9	122.320

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)