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	hartrees
Energy at 0K	-380.392373
Energy at 298.15K	-380.396637
Nuclear repulsion energy	321.961172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3292	3076	0.00
2	A_g	1727	1614	0.00
3	A_g	1663	1554	0.00
4	A_g	1184	1106	0.00
5	A_g	795	743	0.00
6	A_g	453	424	0.00
7	A_u	979	915	0.00
8	A_u	316	296	0.00
9	B_1g	755	706	0.00
10	B_1u	3274	3059	0.41
11	B_1u	1720	1607	134.61
12	B_1u	1408	1315	7.63
13	B_1u	959	896	10.69
14	B_1u	766	715	0.18
15	B_2g	977	913	0.00
16	B_2g	682	638	0.00
17	B_2g	181	169	0.00
18	B_2u	3291	3075	3.96
19	B_2u	1659	1550	19.94
20	B_2u	1362	1273	80.32
21	B_2u	1106	1033	39.87
22	B_2u	410	383	25.37
23	B_3g	3274	3060	0.00
24	B_3g	1443	1348	0.00
25	B_3g	1269	1185	0.00
26	B_3g	608	569	0.00
27	B_3g	449	420	0.00
28	B_3u	885	827	81.01
29	B_3u	505	472	2.13
30	B_3u	90	84	12.11

Atom	y (Å)	z (Å)
C1	0.000	1.440
C2	0.000	-1.440
C3	1.264	0.674
C4	-1.264	0.674
C5	-1.264	-0.674
C6	1.264	-0.674
O7	0.000	2.676
O8	0.000	-2.676
H9	2.177	1.254
H10	-2.177	1.254
H11	-2.177	-1.254
H12	2.177	-1.254

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8804	1.4786	1.4786	2.4631	2.4631	1.2362	4.1165	2.1846	2.1846	3.4639	3.4639
C2	2.8804		2.4631	2.4631	1.4786	1.4786	4.1165	1.2362	3.4639	3.4639	2.1846	2.1846
C3	1.4786	2.4631		2.5288	2.8653	1.3472	2.3685	3.5806	1.0814	3.4898	3.9444	2.1329
C4	1.4786	2.4631	2.5288		1.3472	2.8653	2.3685	3.5806	3.4898	1.0814	2.1329	3.9444
C5	2.4631	1.4786	2.8653	1.3472		2.5288	3.5806	2.3685	3.9444	2.1329	1.0814	3.4898
C6	2.4631	1.4786	1.3472	2.8653	2.5288		3.5806	2.3685	2.1329	3.9444	3.4898	1.0814
O7	1.2362	4.1165	2.3685	2.3685	3.5806	3.5806		5.3527	2.6000	2.6000	4.4932	4.4932
O8	4.1165	1.2362	3.5806	3.5806	2.3685	2.3685	5.3527		4.4932	4.4932	2.6000	2.6000
H9	2.1846	3.4639	1.0814	3.4898	3.9444	2.1329	2.6000	4.4932		4.3534	5.0245	2.5088
H10	2.1846	3.4639	3.4898	1.0814	2.1329	3.9444	2.6000	4.4932	4.3534		2.5088	5.0245
H11	3.4639	2.1846	3.9444	2.1329	1.0814	3.4898	4.4932	2.6000	5.0245	2.5088		4.3534
H12	3.4639	2.1846	2.1329	3.9444	3.4898	1.0814	4.4932	2.6000	2.5088	5.0245	4.3534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.227	C1	C3	H9	116.292
C1	C4	C5	121.227	C1	C4	H10	116.292
C2	C5	C4	121.227	C2	C5	H11	116.292
C2	C6	C3	121.227	C2	C6	H12	116.292
C3	C1	C4	117.547	C3	C1	O7	121.227
C3	C6	H12	122.481	C4	C1	O7	121.227
C4	C5	H11	122.481	C5	C2	C6	117.547
C5	C2	O8	121.227	C5	C4	H10	122.481
C6	C2	O8	121.227	C6	C3	H9	122.481

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)