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	hartrees
Energy at 0K	-380.850762
Energy at 298.15K	-380.856090
Nuclear repulsion energy	325.000508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3410	3213	0.00
2	A_g	2020	1903	0.00
3	A_g	1857	1750	0.00
4	A_g	1270	1196	0.00
5	A_g	822	775	0.00
6	A_g	483	455	0.00
7	A_u	1136	1070	0.00
8	A_u	379	357	0.00
9	B_1g	837	789	0.00
10	B_1u	3390	3194	2.25
11	B_1u	2001	1885	656.20
12	B_1u	1511	1423	4.83
13	B_1u	1028	969	16.48
14	B_1u	808	761	0.42
15	B_2g	1133	1067	0.00
16	B_2g	863	813	0.00
17	B_2g	255	241	0.00
18	B_2u	3408	3211	5.65
19	B_2u	1835	1729	9.94
20	B_2u	1438	1355	106.01
21	B_2u	1181	1113	45.83
22	B_2u	449	423	38.04
23	B_3g	3390	3194	0.00
24	B_3g	1535	1446	0.00
25	B_3g	1342	1265	0.00
26	B_3g	648	610	0.00
27	B_3g	489	461	0.00
28	B_3u	995	938	122.44
29	B_3u	562	529	0.59
30	B_3u	98	93	18.17

Atom	y (Å)	z (Å)
C1	0.000	1.440
C2	0.000	-1.440
C3	1.265	0.674
C4	-1.265	0.674
C5	-1.265	-0.674
C6	1.265	-0.674
O7	0.000	2.676
O8	0.000	-2.676
H9	2.181	1.258
H10	-2.181	1.258
H11	-2.181	-1.258
H12	2.181	-1.258

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8797	1.4788	1.4788	2.4632	2.4632	1.2364	4.1162	2.1887	2.1887	3.4693	3.4693
C2	2.8797		2.4632	2.4632	1.4788	1.4788	4.1162	1.2364	3.4693	3.4693	2.1887	2.1887
C3	1.4788	2.4632		2.5298	2.8663	1.3476	2.3685	3.5809	1.0867	3.4952	3.9506	2.1382
C4	1.4788	2.4632	2.5298		1.3476	2.8663	2.3685	3.5809	3.4952	1.0867	2.1382	3.9506
C5	2.4632	1.4788	2.8663	1.3476		2.5298	3.5809	2.3685	3.9506	2.1382	1.0867	3.4952
C6	2.4632	1.4788	1.3476	2.8663	2.5298		3.5809	2.3685	2.1382	3.9506	3.4952	1.0867
O7	1.2364	4.1162	2.3685	2.3685	3.5809	3.5809		5.3526	2.6017	2.6017	4.4985	4.4985
O8	4.1162	1.2364	3.5809	3.5809	2.3685	2.3685	5.3526		4.4985	4.4985	2.6017	2.6017
H9	2.1887	3.4693	1.0867	3.4952	3.9506	2.1382	2.6017	4.4985		4.3623	5.0360	2.5161
H10	2.1887	3.4693	3.4952	1.0867	2.1382	3.9506	2.6017	4.4985	4.3623		2.5161	5.0360
H11	3.4693	2.1887	3.9506	2.1382	1.0867	3.4952	4.4985	2.6017	5.0360	2.5161		4.3623
H12	3.4693	2.1887	2.1382	3.9506	3.4952	1.0867	4.4985	2.6017	2.5161	5.0360	4.3623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.401	C1	C3	H9	115.844
C1	C4	C5	121.401	C1	C4	H10	115.844
C2	C5	C4	121.401	C2	C5	H11	115.844
C2	C6	C3	121.401	C2	C6	H12	115.844
C3	C1	C4	117.198	C3	C1	O7	121.401
C3	C6	H12	122.755	C4	C1	O7	121.401
C4	C5	H11	122.755	C5	C2	C6	117.198
C5	C2	O8	121.401	C5	C4	H10	122.755
C6	C2	O8	121.401	C6	C3	H9	122.755

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)