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	hartrees
Energy at 0K	-379.383391
Energy at 298.15K	-379.388241
HF Energy	-379.383391
Nuclear repulsion energy	325.938355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3363	3048	0.00
2	A_g	1983	1797	0.00
3	A_g	1835	1663	0.00
4	A_g	1258	1141	0.00
5	A_g	814	737	0.00
6	A_g	482	437	0.00
7	A_u	1132	1026	0.00
8	A_u	377	342	0.00
9	B_1g	834	756	0.00
10	B_1u	3342	3029	1.37
11	B_1u	1963	1779	742.04
12	B_1u	1501	1361	4.34
13	B_1u	1026	930	15.19
14	B_1u	802	727	0.15
15	B_2g	1122	1017	0.00
16	B_2g	878	796	0.00
17	B_2g	244	222	0.00
18	B_2u	3361	3046	4.02
19	B_2u	1811	1642	10.22
20	B_2u	1424	1291	102.46
21	B_2u	1170	1060	43.06
22	B_2u	451	409	34.35
23	B_3g	3342	3029	0.00
24	B_3g	1522	1380	0.00
25	B_3g	1335	1210	0.00
26	B_3g	646	586	0.00
27	B_3g	489	444	0.00
28	B_3u	1005	911	103.53
29	B_3u	566	513	2.60
30	B_3u	96	87	17.72

Atom	y (Å)	z (Å)
C1	0.000	1.430
C2	0.000	-1.430
C3	1.270	0.659
C4	-1.270	0.659
C5	-1.270	-0.659
C6	1.270	-0.659
O7	0.000	2.618
O8	0.000	-2.618
H9	2.172	1.239
H10	-2.172	1.239
H11	-2.172	-1.239
H12	2.172	-1.239

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8609	1.4862	1.4862	2.4451	2.4451	1.1876	4.0485	2.1807	2.1807	3.4415	3.4415
C2	2.8609		2.4451	2.4451	1.4862	1.4862	4.0485	1.1876	3.4415	3.4415	2.1807	2.1807
C3	1.4862	2.4451		2.5402	2.8617	1.3177	2.3349	3.5144	1.0725	3.4909	3.9308	2.1011
C4	1.4862	2.4451	2.5402		1.3177	2.8617	2.3349	3.5144	3.4909	1.0725	2.1011	3.9308
C5	2.4451	1.4862	2.8617	1.3177		2.5402	3.5144	2.3349	3.9308	2.1011	1.0725	3.4909
C6	2.4451	1.4862	1.3177	2.8617	2.5402		3.5144	2.3349	2.1011	3.9308	3.4909	1.0725
O7	1.1876	4.0485	2.3349	2.3349	3.5144	3.5144		5.2361	2.5732	2.5732	4.4265	4.4265
O8	4.0485	1.1876	3.5144	3.5144	2.3349	2.3349	5.2361		4.4265	4.4265	2.5732	2.5732
H9	2.1807	3.4415	1.0725	3.4909	3.9308	2.1011	2.5732	4.4265		4.3446	5.0013	2.4775
H10	2.1807	3.4415	3.4909	1.0725	2.1011	3.9308	2.5732	4.4265	4.3446		2.4775	5.0013
H11	3.4415	2.1807	3.9308	2.1011	1.0725	3.4909	4.4265	2.5732	5.0013	2.4775		4.3446
H12	3.4415	2.1807	2.1011	3.9308	3.4909	1.0725	4.4265	2.5732	2.4775	5.0013	4.3446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.280	C1	C3	H9	115.985
C1	C4	C5	121.280	C1	C4	H10	115.985
C2	C5	C4	121.280	C2	C5	H11	115.985
C2	C6	C3	121.280	C2	C6	H12	115.985
C3	C1	C4	117.440	C3	C1	O7	121.280
C3	C6	H12	122.735	C4	C1	O7	121.280
C4	C5	H11	122.735	C5	C2	C6	117.440
C5	C2	O8	121.280	C5	C4	H10	122.735
C6	C2	O8	121.280	C6	C3	H9	122.735

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.404
2	C	0.404
3	C	-0.126
4	C	-0.126
5	C	-0.126
6	C	-0.126
7	O	-0.392
8	O	-0.392
9	H	0.120
10	H	0.120
11	H	0.120
12	H	0.120

<r²>	239.218
(<r²>)^1/2	15.467

All results from a given calculation for C6H4O2 (parabenzoquinone)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)