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	hartrees
Energy at 0K	-380.364772
Energy at 298.15K	-380.368939
Nuclear repulsion energy	320.571667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3211	3089
2	A_g	1743	1677
3	A_g	1662	1599
4	A_g	1178	1133
5	A_g	778	748
6	A_g	450	433
7	A_u	938	902
8	A_u	309	297
9	B_1g	733	705
10	B_1u	3193	3072
11	B_1u	1735	1669
12	B_1u	1393	1340
13	B_1u	952	916
14	B_1u	755	727
15	B_2g	937	901
16	B_2g	676	650
17	B_2g	185	178
18	B_2u	3209	3087
19	B_2u	1647	1585
20	B_2u	1346	1295
21	B_2u	1095	1054
22	B_2u	408	392
23	B_3g	3193	3072
24	B_3g	1421	1367
25	B_3g	1255	1208
26	B_3g	602	579
27	B_3g	448	431
28	B_3u	861	828
29	B_3u	494	475
30	B_3u	91	88

Atom	y (Å)	z (Å)
C1	0.000	1.448
C2	0.000	-1.448
C3	1.274	0.676
C4	-1.274	0.676
C5	-1.274	-0.676
C6	1.274	-0.676
O7	0.000	2.682
O8	0.000	-2.682
H9	2.192	1.265
H10	-2.192	1.265
H11	-2.192	-1.265
H12	2.192	-1.265

	C1	C2	C3	C4	C5	C6	O7	O8	H9	H10	H11	H12
C1		2.8967	1.4897	1.4897	2.4770	2.4770	1.2336	4.1303	2.1992	2.1992	3.4880	3.4880
C2	2.8967		2.4770	2.4770	1.4897	1.4897	4.1303	1.2336	3.4880	3.4880	2.1992	2.1992
C3	1.4897	2.4770		2.5478	2.8843	1.3521	2.3762	3.5915	1.0905	3.5152	3.9721	2.1472
C4	1.4897	2.4770	2.5478		1.3521	2.8843	2.3762	3.5915	3.5152	1.0905	2.1472	3.9721
C5	2.4770	1.4897	2.8843	1.3521		2.5478	3.5915	2.3762	3.9721	2.1472	1.0905	3.5152
C6	2.4770	1.4897	1.3521	2.8843	2.5478		3.5915	2.3762	2.1472	3.9721	3.5152	1.0905
O7	1.2336	4.1303	2.3762	2.3762	3.5915	3.5915		5.3640	2.6097	2.6097	4.5148	4.5148
O8	4.1303	1.2336	3.5915	3.5915	2.3762	2.3762	5.3640		4.5148	4.5148	2.6097	2.6097
H9	2.1992	3.4880	1.0905	3.5152	3.9721	2.1472	2.6097	4.5148		4.3832	5.0611	2.5304
H10	2.1992	3.4880	3.5152	1.0905	2.1472	3.9721	2.6097	4.5148	4.3832		2.5304	5.0611
H11	3.4880	2.1992	3.9721	2.1472	1.0905	3.5152	4.5148	2.6097	5.0611	2.5304		4.3832
H12	3.4880	2.1992	2.1472	3.9721	3.5152	1.0905	4.5148	2.6097	2.5304	5.0611	4.3832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	121.227	C1	C3	H9	116.074
C1	C4	C5	121.227	C1	C4	H10	116.074
C2	C5	C4	121.227	C2	C5	H11	116.074
C2	C6	C3	121.227	C2	C6	H12	116.074
C3	C1	C4	117.547	C3	C1	O7	121.227
C3	C6	H12	122.699	C4	C1	O7	121.227
C4	C5	H11	122.699	C5	C2	C6	117.547
C5	C2	O8	121.227	C5	C4	H10	122.699
C6	C2	O8	121.227	C6	C3	H9	122.699

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for C₆H₄O₂ (parabenzoquinone)