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	hartrees
Energy at 0K	-380.343580
Energy at 298.15K	-380.347912
Nuclear repulsion energy	322.266042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3270	3070	0.00
2	A_g	1843	1730	0.00
3	A_g	1734	1628	0.00
4	A_g	1200	1127	0.00
5	A_g	796	747	0.00
6	A_g	461	432	0.00
7	A_u	970	910	0.00
8	A_u	326	306	0.00
9	B_1g	748	702	0.00
10	B_1u	3253	3053	0.46
11	B_1u	1842	1729	241.91
12	B_1u	1421	1334	6.45
13	B_1u	972	912	9.56
14	B_1u	775	728	0.48
15	B_2g	966	907	0.00
16	B_2g	707	663	0.00
17	B_2g	197	185	0.00
18	B_2u	3268	3068	3.65
19	B_2u	1711	1606	15.33
20	B_2u	1375	1290	82.84
21	B_2u	1119	1050	40.93
22	B_2u	422	396	29.86
23	B_3g	3253	3053	0.00
24	B_3g	1454	1365	0.00
25	B_3g	1284	1205	0.00
26	B_3g	618	580	0.00
27	B_3g	460	432	0.00
28	B_3u	884	830	94.92
29	B_3u	507	476	2.74
30	B_3u	91	86	13.78

Atom	y (Å)	z (Å)
C1	0.000	1.441
C2	0.000	-1.441
C3	1.272	0.671
C4	-1.272	0.671
C5	-1.272	-0.671
C6	1.272	-0.671
O7	0.000	2.662
O8	0.000	-2.662
H9	2.185	1.259
H10	-2.185	1.259
H11	-2.185	-1.259
H12	2.185	-1.259

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8829	1.4871	1.4871	2.4660	2.4660	1.2209	4.1038	2.1928	2.1928	3.4737	3.4737
C2	2.8829		2.4660	2.4660	1.4871	1.4871	4.1038	1.2209	3.4737	3.4737	2.1928	2.1928
C3	1.4871	2.4660		2.5441	2.8765	1.3424	2.3628	3.5680	1.0859	3.5068	3.9595	2.1352
C4	1.4871	2.4660	2.5441		1.3424	2.8765	2.3628	3.5680	3.5068	1.0859	2.1352	3.9595
C5	2.4660	1.4871	2.8765	1.3424		2.5441	3.5680	2.3628	3.9595	2.1352	1.0859	3.5068
C6	2.4660	1.4871	1.3424	2.8765	2.5441		3.5680	2.3628	2.1352	3.9595	3.5068	1.0859
O7	1.2209	4.1038	2.3628	2.3628	3.5680	3.5680		5.3247	2.5970	2.5970	4.4890	4.4890
O8	4.1038	1.2209	3.5680	3.5680	2.3628	2.3628	5.3247		4.4890	4.4890	2.5970	2.5970
H9	2.1928	3.4737	1.0859	3.5068	3.9595	2.1352	2.5970	4.4890		4.3704	5.0438	2.5178
H10	2.1928	3.4737	3.5068	1.0859	2.1352	3.9595	2.5970	4.4890	4.3704		2.5178	5.0438
H11	3.4737	2.1928	3.9595	2.1352	1.0859	3.5068	4.4890	2.5970	5.0438	2.5178		4.3704
H12	3.4737	2.1928	2.1352	3.9595	3.5068	1.0859	4.4890	2.5970	2.5178	5.0438	4.3704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.196	C1	C3	H9	116.037
C1	C4	C5	121.196	C1	C4	H10	116.037
C2	C5	C4	121.196	C2	C5	H11	116.037
C2	C6	C3	121.196	C2	C6	H12	116.037
C3	C1	C4	117.608	C3	C1	O7	121.196
C3	C6	H12	122.767	C4	C1	O7	121.196
C4	C5	H11	122.767	C5	C2	C6	117.608
C5	C2	O8	121.196	C5	C4	H10	122.767
C6	C2	O8	121.196	C6	C3	H9	122.767

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)