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	hartrees
Energy at 0K	-231.535824
Energy at 298.15K	-231.541980
HF Energy	-230.713231
Nuclear repulsion energy	203.570116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_1g	3286	3071	0.00	344.94	0.10	0.19
2	A_1g	1030	962	0.00	50.70	0.10	0.19
3	A_2g	1398	1306	0.00	0.00	0.40	0.58
4	A_2u	693	648	87.96	0.00	0.00	0.00
5	B_1u	3251	3038	0.00	0.00	0.72	0.84
6	B_1u	1023	955	0.00	0.00	0.11	0.00
7	B_2g	926	865	0.00	0.00	0.75	0.86
8	B_2g	521	487	0.00	0.00	0.75	0.86
9	B_2u	1469	1373	0.00	0.00	0.75	0.86
10	B_2u	1203	1124	0.00	0.00	0.00	0.00
11	E_1g	859	802	0.00	5.57	0.75	0.86
11	E_1g	859	802	0.00	5.57	0.75	0.86
12	E_1u	3276	3061	35.65	0.00	0.70	0.83
12	E_1u	3276	3061	35.65	0.00	0.44	0.61
13	E_1u	1544	1443	7.79	0.00	0.75	0.86
13	E_1u	1544	1443	7.79	0.00	0.75	0.86
14	E_1u	1084	1012	3.24	0.00	0.74	0.85
14	E_1u	1084	1012	3.24	0.00	0.75	0.86
15	E_2g	3261	3047	0.00	121.06	0.75	0.86
15	E_2g	3261	3047	0.00	121.06	0.75	0.86
16	E_2g	1678	1568	0.00	9.93	0.75	0.86
16	E_2g	1678	1568	0.00	9.93	0.75	0.86
17	E_2g	1226	1146	0.00	9.41	0.75	0.86
17	E_2g	1226	1146	0.00	9.41	0.75	0.86
18	E_2g	620	579	0.00	3.42	0.75	0.86
18	E_2g	620	579	0.00	3.42	0.75	0.86
19	E_2u	924	863	0.00	0.00	0.00	0.00
19	E_2u	924	863	0.00	0.00	0.00	0.00
20	E_2u	398	372	0.00	0.00	0.00	0.00
20	E_2u	398	372	0.00	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.395
C2	1.208	0.697
C3	1.208	-0.697
C4	0.000	-1.395
C5	-1.208	-0.697
C6	-1.208	0.697
H7	0.000	2.476
H8	2.145	1.238
H9	2.145	-1.238
H10	0.000	-2.476
H11	-2.145	-1.238
H12	-2.145	1.238

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3947	2.4157	2.7895	2.4157	1.3947	1.0817	2.1504	3.3959	3.8712	3.3959	2.1504
C2	1.3947		1.3947	2.4157	2.7895	2.4157	2.1504	1.0817	2.1504	3.3959	3.8712	3.3959
C3	2.4157	1.3947		1.3947	2.4157	2.7895	3.3959	2.1504	1.0817	2.1504	3.3959	3.8712
C4	2.7895	2.4157	1.3947		1.3947	2.4157	3.8712	3.3959	2.1504	1.0817	2.1504	3.3959
C5	2.4157	2.7895	2.4157	1.3947		1.3947	3.3959	3.8712	3.3959	2.1504	1.0817	2.1504
C6	1.3947	2.4157	2.7895	2.4157	1.3947		2.1504	3.3959	3.8712	3.3959	2.1504	1.0817
H7	1.0817	2.1504	3.3959	3.8712	3.3959	2.1504		2.4764	4.2893	4.9529	4.2893	2.4764
H8	2.1504	1.0817	2.1504	3.3959	3.8712	3.3959	2.4764		2.4764	4.2893	4.9529	4.2893
H9	3.3959	2.1504	1.0817	2.1504	3.3959	3.8712	4.2893	2.4764		2.4764	4.2893	4.9529
H10	3.8712	3.3959	2.1504	1.0817	2.1504	3.3959	4.9529	4.2893	2.4764		2.4764	4.2893
H11	3.3959	3.8712	3.3959	2.1504	1.0817	2.1504	4.2893	4.9529	4.2893	2.4764		2.4764
H12	2.1504	3.3959	3.8712	3.3959	2.1504	1.0817	2.4764	4.2893	4.9529	4.2893	2.4764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.000	C1	C2	H8	120.000
C1	C6	C5	120.000	C1	C6	H12	120.000
C2	C1	C6	120.000	C2	C1	H7	120.000
C2	C3	C4	120.000	C2	C3	H9	120.000
C3	C2	H8	120.000	C3	C4	C5	120.000
C3	C4	H10	120.000	C4	C3	H9	120.000
C4	C5	C6	120.000	C4	C5	H11	120.000
C5	C4	H10	120.000	C5	C6	H12	120.000
C6	C1	H7	120.000	C6	C5	H11	120.000

All results from a given calculation for C₆H₆ (Benzene)

using model chemistry: MP2=FULL/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 C6H6 (Benzene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₆ (Benzene)