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	hartrees
Energy at 0K	-308.956106
Energy at 298.15K
HF Energy	-307.686960
Nuclear repulsion energy	320.641970

Atom	x (Å)	y (Å)	z (Å)
C1	0.514	-0.225	-0.058
C2	0.018	1.085	-0.081
C3	-1.350	1.327	-0.025
C4	-2.252	0.265	0.047
C5	-1.773	-1.043	0.058
C6	-0.403	-1.282	0.001
C7	1.949	-0.529	-0.094
C8	2.945	0.338	0.127
H9	0.704	1.917	-0.159
H10	-1.715	2.345	-0.047
H11	-3.315	0.457	0.087
H12	-2.464	-1.873	0.107
H13	-0.032	-2.300	0.011
H14	2.202	-1.562	-0.305
H15	3.975	0.017	0.079
H16	2.759	1.375	0.371

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4015	2.4263	2.8107	2.4314	1.4005	1.4667	2.5024	2.1537	3.4025	3.8920	3.4073	2.1462	2.1671	3.4719	2.7901
C2	1.4015		1.3901	2.4162	2.7844	2.4058	2.5163	3.0280	1.0817	2.1428	3.3957	3.8658	3.3864	3.4391	4.1015	2.7931
C3	2.4263	1.3901		1.3951	2.4089	2.7763	3.7855	4.4099	2.1412	1.0816	2.1523	3.3916	3.8593	4.5872	5.4844	4.1281
C4	2.8107	2.4162	1.3951		1.3927	2.4112	4.2769	5.1977	3.3923	2.1503	1.0813	2.1499	3.3921	4.8266	6.2313	5.1420
C5	2.4314	2.7844	2.4089	1.3927		1.3919	3.7600	4.9165	3.8658	3.3901	2.1509	1.0815	2.1478	4.0250	5.8448	5.1460
C6	1.4005	2.4058	2.7763	2.4112	1.3919		2.4713	3.7218	3.3896	3.8579	3.3928	2.1464	1.0830	2.6377	4.5674	4.1467
C7	1.4667	2.5163	3.7855	4.2769	3.7600	2.4713		1.3393	2.7452	4.6565	5.3581	4.6171	2.6594	1.0848	2.1056	2.1205
C8	2.5024	3.0280	4.4099	5.1977	4.9165	3.7218	1.3393		2.7562	5.0766	6.2612	5.8436	3.9798	2.0860	1.0798	1.0809
H9	2.1537	1.0817	2.1412	3.3923	3.8658	3.3896	2.7452	2.7562		2.4590	4.2834	4.9472	4.2844	3.7910	3.7899	2.1905
H10	3.4025	2.1428	1.0816	2.1503	3.3901	3.8579	4.6565	5.0766	2.4590		2.4791	4.2874	4.9409	5.5385	6.1487	4.5969
H11	3.8920	3.3957	2.1523	1.0813	2.1509	3.3928	5.3581	6.2612	4.2834	2.4791		2.4806	4.2872	5.8877	7.3030	6.1495
H12	3.4073	3.8658	3.3916	2.1499	1.0815	2.1464	4.6171	5.8436	4.9472	4.2874	2.4806		2.4705	4.6941	6.7105	6.1561
H13	2.1462	3.3864	3.8593	3.3921	2.1478	1.0830	2.6594	3.9798	4.2844	4.9409	4.2872	2.4705		2.3738	4.6294	4.6287
H14	2.1671	3.4391	4.5872	4.8266	4.0250	2.6377	1.0848	2.0860	3.7910	5.5385	5.8877	4.6941	2.3738		2.4053	3.0649
H15	3.4719	4.1015	5.4844	6.2313	5.8448	4.5674	2.1056	1.0798	3.7899	6.1487	7.3030	6.7105	4.6294	2.4053		1.8457
H16	2.7901	2.7931	4.1281	5.1420	5.1460	4.1467	2.1205	1.0809	2.1905	4.5969	6.1495	6.1561	4.6287	3.0649	1.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.717	C1	C2	H9	119.744
C1	C6	C5	121.082	C1	C6	H13	119.025
C1	C7	C8	126.139	C1	C7	H14	115.471
C2	C1	C6	118.323	C2	C1	C7	122.629
C2	C3	C4	120.341	C2	C3	H10	119.690
C3	C2	H9	119.530	C3	C4	C5	119.556
C3	C4	H11	120.186	C4	C3	H10	119.966
C4	C5	C6	119.972	C4	C5	H12	120.144
C5	C4	H11	120.256	C5	C6	H13	119.891
C6	C1	C7	119.049	C6	C5	H12	119.884
C7	C8	H15	120.636	C7	C8	H16	122.008
C8	C7	H14	118.380	H15	C8	H16	117.352

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

using model chemistry: MP2/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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All results from a given calculation for C6H5CHCH2 (Styrene)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)