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	hartrees
Energy at 0K	-380.405919
Energy at 298.15K	-380.410371
Nuclear repulsion energy	320.525468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3244	3104	0.00
2	A_g	1835	1755	0.00
3	A_g	1717	1642	0.00
4	A_g	1161	1110	0.00
5	A_g	784	750	0.00
6	A_g	450	431	0.00
7	A_u	1014	970	0.00
8	A_u	338	324	0.00
9	B_1g	766	733	0.00
10	B_1u	3223	3083	1.23
11	B_1u	1830	1750	240.76
12	B_1u	1386	1326	5.22
13	B_1u	948	906	9.09
14	B_1u	763	730	0.10
15	B_2g	1010	966	0.00
16	B_2g	784	750	0.00
17	B_2g	225	215	0.00
18	B_2u	3242	3102	5.52
19	B_2u	1700	1626	13.83
20	B_2u	1342	1284	83.86
21	B_2u	1086	1039	38.72
22	B_2u	415	397	25.23
23	B_3g	3223	3084	0.00
24	B_3g	1431	1369	0.00
25	B_3g	1245	1192	0.00
26	B_3g	607	581	0.00
27	B_3g	451	432	0.00
28	B_3u	910	871	75.84
29	B_3u	515	493	3.08
30	B_3u	92	88	10.89

Atom	y (Å)	z (Å)
C1	0.000	1.459
C2	0.000	-1.459
C3	1.277	0.675
C4	-1.277	0.675
C5	-1.277	-0.675
C6	1.277	-0.675
O7	0.000	2.678
O8	0.000	-2.678
H9	2.201	1.264
H10	-2.201	1.264
H11	-2.201	-1.264
H12	2.201	-1.264

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.9187	1.4982	1.4982	2.4873	2.4873	1.2182	4.1369	2.2093	2.2093	3.5013	3.5013
C2	2.9187		2.4873	2.4873	1.4982	1.4982	4.1369	1.2182	3.5013	3.5013	2.2093	2.2093
C3	1.4982	2.4873		2.5533	2.8885	1.3506	2.3746	3.5877	1.0956	3.5267	3.9815	2.1481
C4	1.4982	2.4873	2.5533		1.3506	2.8885	2.3746	3.5877	3.5267	1.0956	2.1481	3.9815
C5	2.4873	1.4982	2.8885	1.3506		2.5533	3.5877	2.3746	3.9815	2.1481	1.0956	3.5267
C6	2.4873	1.4982	1.3506	2.8885	2.5533		3.5877	2.3746	2.1481	3.9815	3.5267	1.0956
O7	1.2182	4.1369	2.3746	2.3746	3.5877	3.5877		5.3551	2.6156	2.6156	4.5142	4.5142
O8	4.1369	1.2182	3.5877	3.5877	2.3746	2.3746	5.3551		4.5142	4.5142	2.6156	2.6156
H9	2.2093	3.5013	1.0956	3.5267	3.9815	2.1481	2.6156	4.5142		4.4013	5.0755	2.5279
H10	2.2093	3.5013	3.5267	1.0956	2.1481	3.9815	2.6156	4.5142	4.4013		2.5279	5.0755
H11	3.5013	2.2093	3.9815	2.1481	1.0956	3.5267	4.5142	2.6156	5.0755	2.5279		4.4013
H12	3.5013	2.2093	2.1481	3.9815	3.5267	1.0956	4.5142	2.6156	2.5279	5.0755	4.4013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.555	C1	C3	H9	115.946
C1	C4	C5	121.555	C1	C4	H10	115.946
C2	C5	C4	121.555	C2	C5	H11	115.946
C2	C6	C3	121.555	C2	C6	H12	115.946
C3	C1	C4	116.889	C3	C1	O7	121.555
C3	C6	H12	122.498	C4	C1	O7	121.555
C4	C5	H11	122.498	C5	C2	C6	116.889
C5	C2	O8	121.555	C5	C4	H10	122.498
C6	C2	O8	121.555	C6	C3	H9	122.498

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)