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	hartrees
Energy at 0K	-380.873712
Energy at 298.15K	-380.879028
Nuclear repulsion energy	324.925740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3394	3394	0.00
2	A_g	2016	2016	0.00
3	A_g	1857	1857	0.00
4	A_g	1259	1259	0.00
5	A_g	819	819	0.00
6	A_g	481	481	0.00
7	A_u	1127	1127	0.00
8	A_u	376	376	0.00
9	B_1g	833	833	0.00
10	B_1u	3373	3373	2.49
11	B_1u	1996	1996	712.26
12	B_1u	1497	1497	4.81
13	B_1u	1023	1023	15.71
14	B_1u	806	806	0.42
15	B_2g	1129	1129	0.00
16	B_2g	875	875	0.00
17	B_2g	256	256	0.00
18	B_2u	3392	3392	6.17
19	B_2u	1835	1835	10.94
20	B_2u	1431	1431	109.27
21	B_2u	1172	1172	44.19
22	B_2u	450	450	37.02
23	B_3g	3373	3373	0.00
24	B_3g	1525	1525	0.00
25	B_3g	1334	1334	0.00
26	B_3g	646	646	0.00
27	B_3g	485	485	0.00
28	B_3u	997	997	110.62
29	B_3u	563	563	0.75
30	B_3u	98	98	17.78

Atom	y (Å)	z (Å)
C1	0.000	1.440
C2	0.000	-1.440
C3	1.272	0.662
C4	-1.272	0.662
C5	-1.272	-0.662
C6	1.272	-0.662
O7	0.000	2.630
O8	0.000	-2.630
H9	2.177	1.246
H10	-2.177	1.246
H11	-2.177	-1.246
H12	2.177	-1.246

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8802	1.4909	1.4909	2.4573	2.4573	1.1897	4.0699	2.1861	2.1861	3.4576	3.4576
C2	2.8802		2.4573	2.4573	1.4909	1.4909	4.0699	1.1897	3.4576	3.4576	2.1861	2.1861
C3	1.4909	2.4573		2.5440	2.8682	1.3246	2.3428	3.5293	1.0771	3.4984	3.9420	2.1120
C4	1.4909	2.4573	2.5440		1.3246	2.8682	2.3428	3.5293	3.4984	1.0771	2.1120	3.9420
C5	2.4573	1.4909	2.8682	1.3246		2.5440	3.5293	2.3428	3.9420	2.1120	1.0771	3.4984
C6	2.4573	1.4909	1.3246	2.8682	2.5440		3.5293	2.3428	2.1120	3.9420	3.4984	1.0771
O7	1.1897	4.0699	2.3428	2.3428	3.5293	3.5293		5.2596	2.5801	2.5801	4.4454	4.4454
O8	4.0699	1.1897	3.5293	3.5293	2.3428	2.3428	5.2596		4.4454	4.4454	2.5801	2.5801
H9	2.1861	3.4576	1.0771	3.4984	3.9420	2.1120	2.5801	4.4454		4.3549	5.0172	2.4915
H10	2.1861	3.4576	3.4984	1.0771	2.1120	3.9420	2.5801	4.4454	4.3549		2.4915	5.0172
H11	3.4576	2.1861	3.9420	2.1120	1.0771	3.4984	4.4454	2.5801	5.0172	2.4915		4.3549
H12	3.4576	2.1861	2.1120	3.9420	3.4984	1.0771	4.4454	2.5801	2.4915	5.0172	4.3549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.444	C1	C3	H9	115.758
C1	C4	C5	121.444	C1	C4	H10	115.758
C2	C5	C4	121.444	C2	C5	H11	115.758
C2	C6	C3	121.444	C2	C6	H12	115.758
C3	C1	C4	117.111	C3	C1	O7	121.444
C3	C6	H12	122.797	C4	C1	O7	121.444
C4	C5	H11	122.797	C5	C2	C6	117.111
C5	C2	O8	121.444	C5	C4	H10	122.797
C6	C2	O8	121.444	C6	C3	H9	122.797

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)