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	hartrees
Energy at 0K	-379.854204
Energy at 298.15K	-379.858336
Nuclear repulsion energy	314.523717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3217	3098	0.00
2	A_g	1623	1564	0.00
3	A_g	1466	1412	0.00
4	A_g	1187	1143	0.00
5	A_g	755	727	0.00
6	A_g	443	427	0.00
7	A_u	912	878	0.00
8	A_u	331	319	0.00
9	B_1g	725	698	0.00
10	B_1u	3187	3069	1.38
11	B_1u	1533	1476	69.08
12	B_1u	1374	1323	3.39
13	B_1u	941	906	7.08
14	B_1u	736	709	0.00
15	B_2g	919	885	0.00
16	B_2g	695	669	0.00
17	B_2g	207	199	0.00
18	B_2u	3214	3095	18.05
19	B_2u	1579	1520	22.51
20	B_2u	1328	1279	51.24
21	B_2u	1077	1037	61.26
22	B_2u	387	372	25.68
23	B_3g	3187	3069	0.00
24	B_3g	1403	1352	0.00
25	B_3g	1259	1213	0.00
26	B_3g	599	577	0.00
27	B_3g	446	430	0.00
28	B_3u	869	837	101.96
29	B_3u	468	451	8.39
30	B_3u	84	81	16.00

Atom	y (Å)	z (Å)
C1	0.000	1.467
C2	0.000	-1.467
C3	1.288	0.689
C4	-1.288	0.689
C5	-1.288	-0.689
C6	1.288	-0.689
O7	0.000	2.753
O8	0.000	-2.753
H9	2.214	1.272
H10	-2.214	1.272
H11	-2.214	-1.272
H12	2.214	-1.272

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9333	1.5044	1.5044	2.5110	2.5110	1.2860	4.2193	2.2222	2.2222	3.5217	3.5217
C2	2.9333		2.5110	2.5110	1.5044	1.5044	4.2193	1.2860	3.5217	3.5217	2.2222	2.2222
C3	1.5044	2.5110		2.5757	2.9210	1.3779	2.4326	3.6747	1.0943	3.5498	4.0133	2.1688
C4	1.5044	2.5110	2.5757		1.3779	2.9210	2.4326	3.6747	3.5498	1.0943	2.1688	4.0133
C5	2.5110	1.5044	2.9210	1.3779		2.5757	3.6747	2.4326	4.0133	2.1688	1.0943	3.5498
C6	2.5110	1.5044	1.3779	2.9210	2.5757		3.6747	2.4326	2.1688	4.0133	3.5498	1.0943
O7	1.2860	4.2193	2.4326	2.4326	3.6747	3.6747		5.5054	2.6631	2.6631	4.5935	4.5935
O8	4.2193	1.2860	3.6747	3.6747	2.4326	2.4326	5.5054		4.5935	4.5935	2.6631	2.6631
H9	2.2222	3.5217	1.0943	3.5498	4.0133	2.1688	2.6631	4.5935		4.4274	5.1065	2.5445
H10	2.2222	3.5217	3.5498	1.0943	2.1688	4.0133	2.6631	4.5935	4.4274		2.5445	5.1065
H11	3.5217	2.2222	4.0133	2.1688	1.0943	3.5498	4.5935	2.6631	5.1065	2.5445		4.4274
H12	3.5217	2.2222	2.1688	4.0133	3.5498	1.0943	4.5935	2.6631	2.5445	5.1065	4.4274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.128	C1	C3	H9	116.659
C1	C4	C5	121.128	C1	C4	H10	116.659
C2	C5	C4	121.128	C2	C5	H11	116.659
C2	C6	C3	121.128	C2	C6	H12	116.659
C3	C1	C4	117.744	C3	C1	O7	121.128
C3	C6	H12	122.213	C4	C1	O7	121.128
C4	C5	H11	122.213	C5	C2	C6	117.744
C5	C2	O8	121.128	C5	C4	H10	122.213
C6	C2	O8	121.128	C6	C3	H9	122.213

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)