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	hartrees
Energy at 0K	-230.782601
Energy at 298.15K
HF Energy	-230.782601
Nuclear repulsion energy	205.292394

Atom	x (Å)	y (Å)
C1	0.000	1.383
C2	1.198	0.691
C3	1.198	-0.691
C4	0.000	-1.383
C5	-1.198	-0.691
C6	-1.198	0.691
H7	0.000	2.456
H8	2.127	1.228
H9	2.127	-1.228
H10	0.000	-2.456
H11	-2.127	-1.228
H12	-2.127	1.228

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3829	2.3952	2.7658	2.3952	1.3829	1.0733	2.1327	3.3677	3.8390	3.3677	2.1327
C2	1.3829		1.3829	2.3952	2.7658	2.3952	2.1327	1.0733	2.1327	3.3677	3.8390	3.3677
C3	2.3952	1.3829		1.3829	2.3952	2.7658	3.3677	2.1327	1.0733	2.1327	3.3677	3.8390
C4	2.7658	2.3952	1.3829		1.3829	2.3952	3.8390	3.3677	2.1327	1.0733	2.1327	3.3677
C5	2.3952	2.7658	2.3952	1.3829		1.3829	3.3677	3.8390	3.3677	2.1327	1.0733	2.1327
C6	1.3829	2.3952	2.7658	2.3952	1.3829		2.1327	3.3677	3.8390	3.3677	2.1327	1.0733
H7	1.0733	2.1327	3.3677	3.8390	3.3677	2.1327		2.4562	4.2542	4.9123	4.2542	2.4562
H8	2.1327	1.0733	2.1327	3.3677	3.8390	3.3677	2.4562		2.4562	4.2542	4.9123	4.2542
H9	3.3677	2.1327	1.0733	2.1327	3.3677	3.8390	4.2542	2.4562		2.4562	4.2542	4.9123
H10	3.8390	3.3677	2.1327	1.0733	2.1327	3.3677	4.9123	4.2542	2.4562		2.4562	4.2542
H11	3.3677	3.8390	3.3677	2.1327	1.0733	2.1327	4.2542	4.9123	4.2542	2.4562		2.4562
H12	2.1327	3.3677	3.8390	3.3677	2.1327	1.0733	2.4562	4.2542	4.9123	4.2542	2.4562

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

Number	Element	Mulliken
1	C	-0.503
2	C	-0.503
3	C	-0.503
4	C	-0.503
5	C	-0.503
6	C	-0.503
7	H	0.503
8	H	0.503
9	H	0.503
10	H	0.503
11	H	0.503
12	H	0.503

All results from a given calculation for C₆H₆ (Benzene)

using model chemistry: HF/daug-cc-pVTZ

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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<r²>	126.859
(<r²>)^1/2	11.263

All results from a given calculation for C6H6 (Benzene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₆H₆ (Benzene)