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	hartrees
Energy at 0K	-230.829898
Energy at 298.15K
HF Energy	-230.062272
Nuclear repulsion energy	196.017768

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	1.215	0.762
C3	-1.215	0.762
C4	1.199	-0.624
C5	-1.199	-0.624
C6	0.000	-1.310
H7	2.152	1.317
H8	-2.152	1.317
H9	2.142	-1.173
H10	-2.142	-1.173
H11	0.000	-2.400

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.3663	1.3663	2.3406	2.3406	2.6968	2.1533	2.1533	3.3375	3.3375	3.7867
C2	1.3663		2.4301	1.3852	2.7836	2.4019	1.0893	3.4127	2.1451	3.8748	3.3873
C3	1.3663	2.4301		2.7836	1.3852	2.4019	3.4127	1.0893	3.8748	2.1451	3.3873
C4	2.3406	1.3852	2.7836		2.3990	1.3822	2.1618	3.8729	1.0912	3.3867	2.1437
C5	2.3406	2.7836	1.3852	2.3990		1.3822	3.8729	2.1618	3.3867	1.0912	2.1437
C6	2.6968	2.4019	2.4019	1.3822	1.3822		3.3963	3.3963	2.1468	2.1468	1.0899
H7	2.1533	1.0893	3.4127	2.1618	3.8729	3.3963		4.3043	2.4897	4.9640	4.2953
H8	2.1533	3.4127	1.0893	3.8729	2.1618	3.3963	4.3043		4.9640	2.4897	4.2953
H9	3.3375	2.1451	3.8748	1.0912	3.3867	2.1468	2.4897	4.9640		4.2848	2.4691
H10	3.3375	3.8748	2.1451	3.3867	1.0912	2.1468	4.9640	2.4897	4.2848		2.4691
H11	3.7867	3.3873	3.3873	2.1437	2.1437	1.0899	4.2953	4.2953	2.4691	2.4691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	116.571	C1	C2	H7	122.130
C1	C3	C5	116.571	C1	C3	H8	122.130
C2	C1	C3	125.571	C2	C4	C6	120.440
C2	C4	H9	119.575	C3	C5	C6	120.440
C3	C5	H10	119.575	C4	C2	H7	121.299
C4	C6	C5	120.407	C4	C6	H11	119.796
C5	C3	H8	121.299	C5	C6	H11	119.796
C6	C4	H9	119.985	C6	C5	H10	119.985

All results from a given calculation for C₆H₅ (phenyl)

using model chemistry: MP4/6-31G*

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 C6H5 (phenyl)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for C₆H₅ (phenyl)