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	hartrees
Energy at 0K	-380.434147
Energy at 298.15K	-380.438297
HF Energy	-379.250943
Nuclear repulsion energy	322.436457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3309	3083	0.00
2	A_g	1830	1705	0.00
3	A_g	1728	1609	0.00
4	A_g	1200	1118	0.00
5	A_g	795	741	0.00
6	A_g	460	429	0.00
7	A_u	975	908	0.00
8	A_u	313	291	0.00
9	B_1g	745	694	0.00
10	B_1u	3291	3066	0.39
11	B_1u	1826	1701	319.53
12	B_1u	1427	1329	3.20
13	B_1u	969	902	10.26
14	B_1u	775	722	0.28
15	B_2g	966	900	0.00
16	B_2g	620	577	0.00
17	B_2g	112	104	0.00
18	B_2u	3307	3081	3.53
19	B_2u	1706	1589	13.85
20	B_2u	1370	1276	82.88
21	B_2u	1118	1041	36.07
22	B_2u	421	392	28.54
23	B_3g	3291	3066	0.00
24	B_3g	1456	1356	0.00
25	B_3g	1285	1197	0.00
26	B_3g	618	575	0.00
27	B_3g	462	430	0.00
28	B_3u	875	815	93.29
29	B_3u	505	471	3.75
30	B_3u	83	77	14.96

Atom	y (Å)	z (Å)
C1	0.000	1.451
C2	0.000	-1.451
C3	1.272	0.672
C4	-1.272	0.672
C5	-1.272	-0.672
C6	1.272	-0.672
O7	0.000	2.668
O8	0.000	-2.668
H9	2.181	1.256
H10	-2.181	1.256
H11	-2.181	-1.256
H12	2.181	-1.256

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9023	1.4922	1.4922	2.4750	2.4750	1.2172	4.1195	2.1899	2.1899	3.4769	3.4769
C2	2.9023		2.4750	2.4750	1.4922	1.4922	4.1195	1.2172	3.4769	3.4769	2.1899	2.1899
C3	1.4922	2.4750		2.5450	2.8777	1.3433	2.3677	3.5742	1.0806	3.5028	3.9554	2.1315
C4	1.4922	2.4750	2.5450		1.3433	2.8777	2.3677	3.5742	3.5028	1.0806	2.1315	3.9554
C5	2.4750	1.4922	2.8777	1.3433		2.5450	3.5742	2.3677	3.9554	2.1315	1.0806	3.5028
C6	2.4750	1.4922	1.3433	2.8777	2.5450		3.5742	2.3677	2.1315	3.9554	3.5028	1.0806
O7	1.2172	4.1195	2.3677	2.3677	3.5742	3.5742		5.3367	2.5983	2.5983	4.4901	4.4901
O8	4.1195	1.2172	3.5742	3.5742	2.3677	2.3677	5.3367		4.4901	4.4901	2.5983	2.5983
H9	2.1899	3.4769	1.0806	3.5028	3.9554	2.1315	2.5983	4.4901		4.3624	5.0344	2.5129
H10	2.1899	3.4769	3.5028	1.0806	2.1315	3.9554	2.5983	4.4901	4.3624		2.5129	5.0344
H11	3.4769	2.1899	3.9554	2.1315	1.0806	3.5028	4.4901	2.5983	5.0344	2.5129		4.3624
H12	3.4769	2.1899	2.1315	3.9554	3.5028	1.0806	4.4901	2.5983	2.5129	5.0344	4.3624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.490	C1	C3	H9	115.748
C1	C4	C5	121.490	C1	C4	H10	115.748
C2	C5	C4	121.490	C2	C5	H11	115.748
C2	C6	C3	121.490	C2	C6	H12	115.748
C3	C1	C4	117.020	C3	C1	O7	121.490
C3	C6	H12	122.762	C4	C1	O7	121.490
C4	C5	H11	122.762	C5	C2	C6	117.020
C5	C2	O8	121.490	C5	C4	H10	122.762
C6	C2	O8	121.490	C6	C3	H9	122.762

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)