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	hartrees
Energy at 0K	-231.809885
Energy at 298.15K
HF Energy	-230.794704
Nuclear repulsion energy	203.943304

Atom	x (Å)	y (Å)
C1	0.000	1.392
C2	1.205	0.696
C3	1.205	-0.696
C4	0.000	-1.392
C5	-1.205	-0.696
C6	-1.205	0.696
H7	0.000	2.473
H8	2.142	1.237
H9	2.142	-1.237
H10	0.000	-2.473
H11	-2.142	-1.237
H12	-2.142	1.237

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.3918	2.4107	2.7837	2.4107	1.3918	1.0812	2.1474	3.3905	3.8649	3.3905	2.1474
C2	1.3918		1.3918	2.4107	2.7837	2.4107	2.1474	1.0812	2.1474	3.3905	3.8649	3.3905
C3	2.4107	1.3918		1.3918	2.4107	2.7837	3.3905	2.1474	1.0812	2.1474	3.3905	3.8649
C4	2.7837	2.4107	1.3918		1.3918	2.4107	3.8649	3.3905	2.1474	1.0812	2.1474	3.3905
C5	2.4107	2.7837	2.4107	1.3918		1.3918	3.3905	3.8649	3.3905	2.1474	1.0812	2.1474
C6	1.3918	2.4107	2.7837	2.4107	1.3918		2.1474	3.3905	3.8649	3.3905	2.1474	1.0812
H7	1.0812	2.1474	3.3905	3.8649	3.3905	2.1474		2.4731	4.2835	4.9461	4.2835	2.4731
H8	2.1474	1.0812	2.1474	3.3905	3.8649	3.3905	2.4731		2.4731	4.2835	4.9461	4.2835
H9	3.3905	2.1474	1.0812	2.1474	3.3905	3.8649	4.2835	2.4731		2.4731	4.2835	4.9461
H10	3.8649	3.3905	2.1474	1.0812	2.1474	3.3905	4.9461	4.2835	2.4731		2.4731	4.2835
H11	3.3905	3.8649	3.3905	2.1474	1.0812	2.1474	4.2835	4.9461	4.2835	2.4731		2.4731
H12	2.1474	3.3905	3.8649	3.3905	2.1474	1.0812	2.4731	4.2835	4.9461	4.2835	2.4731

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/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₆H₆ (Benzene)