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	hartrees
Energy at 0K	-380.856021
Energy at 298.15K	-380.860571
Nuclear repulsion energy	324.184801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3260	3095	0.00
2	A_g	1711	1625	0.00
3	A_g	1657	1573	0.00
4	A_g	1173	1114	0.00
5	A_g	797	756	0.00
6	A_g	453	430	0.00
7	A_u	1040	988	0.00
8	A_u	348	330	0.00
9	B_1g	782	742	0.00
10	B_1u	3229	3066	0.06
11	B_1u	1708	1622	178.34
12	B_1u	1390	1320	7.80
13	B_1u	964	915	12.49
14	B_1u	767	729	0.19
15	B_2g	1043	990	0.00
16	B_2g	819	778	0.00
17	B_2g	243	231	0.00
18	B_2u	3257	3093	1.42
19	B_2u	1649	1565	23.11
20	B_2u	1351	1283	71.43
21	B_2u	1097	1042	38.87
22	B_2u	413	392	23.26
23	B_3g	3232	3068	0.00
24	B_3g	1426	1354	0.00
25	B_3g	1253	1189	0.00
26	B_3g	610	579	0.00
27	B_3g	450	427	0.00
28	B_3u	931	884	73.01
29	B_3u	525	498	4.90
30	B_3u	93	89	12.46

Atom	y (Å)	z (Å)
C1	0.000	1.432
C2	0.000	-1.432
C3	1.256	0.669
C4	-1.256	0.669
C5	-1.256	-0.669
C6	1.256	-0.669
O7	0.000	2.657
O8	0.000	-2.657
H9	2.164	1.247
H10	-2.164	1.247
H11	-2.164	-1.247
H12	2.164	-1.247

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8643	1.4695	1.4695	2.4483	2.4483	1.2244	4.0887	2.1724	2.1724	3.4440	3.4440
C2	2.8643		2.4483	2.4483	1.4695	1.4695	4.0887	1.2244	3.4440	3.4440	2.1724	2.1724
C3	1.4695	2.4483		2.5121	2.8466	1.3388	2.3508	3.5552	1.0763	3.4689	3.9206	2.1205
C4	1.4695	2.4483	2.5121		1.3388	2.8466	2.3508	3.5552	3.4689	1.0763	2.1205	3.9206
C5	2.4483	1.4695	2.8466	1.3388		2.5121	3.5552	2.3508	3.9206	2.1205	1.0763	3.4689
C6	2.4483	1.4695	1.3388	2.8466	2.5121		3.5552	2.3508	2.1205	3.9206	3.4689	1.0763
O7	1.2244	4.0887	2.3508	2.3508	3.5552	3.5552		5.3130	2.5831	2.5831	4.4632	4.4632
O8	4.0887	1.2244	3.5552	3.5552	2.3508	2.3508	5.3130		4.4632	4.4632	2.5831	2.5831
H9	2.1724	3.4440	1.0763	3.4689	3.9206	2.1205	2.5831	4.4632		4.3290	4.9957	2.4934
H10	2.1724	3.4440	3.4689	1.0763	2.1205	3.9206	2.5831	4.4632	4.3290		2.4934	4.9957
H11	3.4440	2.1724	3.9206	2.1205	1.0763	3.4689	4.4632	2.5831	4.9957	2.4934		4.3290
H12	3.4440	2.1724	2.1205	3.9206	3.4689	1.0763	4.4632	2.5831	2.4934	4.9957	4.3290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.269	C1	C3	H9	116.295
C1	C4	C5	121.269	C1	C4	H10	116.295
C2	C5	C4	121.269	C2	C5	H11	116.295
C2	C6	C3	121.269	C2	C6	H12	116.295
C3	C1	C4	117.461	C3	C1	O7	121.269
C3	C6	H12	122.436	C4	C1	O7	121.269
C4	C5	H11	122.436	C5	C2	C6	117.461
C5	C2	O8	121.269	C5	C4	H10	122.436
C6	C2	O8	121.269	C6	C3	H9	122.436

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)