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	hartrees
Energy at 0K	-308.700201
Energy at 298.15K
HF Energy	-307.598660
Nuclear repulsion energy	320.284333

Atom	x (Å)	y (Å)	z (Å)
C1	0.512	-0.224	-0.069
C2	0.013	1.088	-0.098
C3	-1.357	1.328	-0.031
C4	-2.257	0.262	0.055
C5	-1.774	-1.046	0.071
C6	-0.401	-1.285	0.006
C7	1.959	-0.521	-0.121
C8	2.950	0.334	0.159
H9	0.697	1.921	-0.189
H10	-1.724	2.345	-0.057
H11	-3.320	0.451	0.102
H12	-2.461	-1.878	0.133
H13	-0.032	-2.302	0.019
H14	2.209	-1.539	-0.398
H15	3.984	0.028	0.093
H16	2.770	1.354	0.469

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4040	2.4295	2.8140	2.4336	1.4017	1.4781	2.5116	2.1563	3.4054	3.8949	3.4087	2.1502	2.1723	3.4846	2.8068
C2	1.4040		1.3926	2.4209	2.7894	2.4113	2.5250	3.0432	1.0814	2.1444	3.3998	3.8705	3.3929	3.4374	4.1139	2.8271
C3	2.4295	1.3926		1.3980	2.4130	2.7826	3.7976	4.4245	2.1437	1.0812	2.1544	3.3956	3.8649	4.5904	5.4979	4.1574
C4	2.8140	2.4209	1.3980		1.3948	2.4167	4.2917	5.2088	3.3970	2.1528	1.0809	2.1519	3.3953	4.8369	6.2451	5.1610
C5	2.4336	2.7894	2.4130	1.3948		1.3954	3.7748	4.9225	3.8706	3.3939	2.1526	1.0811	2.1484	4.0409	5.8572	5.1545
C6	1.4017	2.4113	2.7826	2.4167	1.3954		2.4836	3.7246	3.3944	3.8637	3.3978	2.1480	1.0823	2.6532	4.5777	4.1511
C7	1.4781	2.5250	3.7976	4.2917	3.7748	2.4836		1.3385	2.7497	4.6669	5.3725	4.6310	2.6751	1.0847	2.1086	2.1262
C8	2.5116	3.0432	4.4245	5.2088	4.9225	3.7246	1.3385		2.7782	5.0931	6.2717	5.8463	3.9824	2.0901	1.0797	1.0812
H9	2.1563	1.0814	2.1437	3.3970	3.8706	3.3944	2.7497	2.7782		2.4613	4.2877	4.9516	4.2910	3.7823	3.8032	2.2477
H10	3.4054	2.1444	1.0812	2.1528	3.3939	3.8637	4.6669	5.0931	2.4613		2.4818	4.2915	4.9461	5.5381	6.1616	4.6321
H11	3.8949	3.3998	2.1544	1.0809	2.1526	3.3978	5.3725	6.2717	4.2877	2.4818		2.4833	4.2896	5.8978	7.3160	6.1678
H12	3.4087	3.8705	3.3956	2.1519	1.0811	2.1480	4.6310	5.8463	4.9516	4.2915	2.4833		2.4687	4.7126	6.7211	6.1587
H13	2.1502	3.3929	3.8649	3.3953	2.1484	1.0823	2.6751	3.9824	4.2910	4.9461	4.2896	2.4687		2.4036	4.6432	4.6281
H14	2.1723	3.4374	4.5904	4.8369	4.0409	2.6532	1.0847	2.0901	3.7823	5.5381	5.8978	4.7126	2.4036		2.4182	3.0720
H15	3.4846	4.1139	5.4979	6.2451	5.8572	4.5777	2.1086	1.0797	3.8032	6.1616	7.3160	6.7211	4.6432	2.4182		1.8362
H16	2.8068	2.8271	4.1574	5.1610	5.1545	4.1511	2.1262	1.0812	2.2477	4.6321	6.1678	6.1587	4.6281	3.0720	1.8362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.619	C1	C2	H9	119.801
C1	C6	C5	120.935	C1	C6	H13	119.353
C1	C7	C8	126.108	C1	C7	H14	115.045
C2	C1	C6	118.509	C2	C1	C7	122.330
C2	C3	C4	120.346	C2	C3	H10	119.655
C3	C2	H9	119.573	C3	C4	C5	119.548
C3	C4	H11	120.175	C4	C3	H10	119.996
C4	C5	C6	120.035	C4	C5	H12	120.189
C5	C4	H11	120.276	C5	C6	H13	119.710
C6	C1	C7	119.161	C6	C5	H12	119.777
C7	C8	H15	121.013	C7	C8	H16	122.622
C8	C7	H14	118.838	H15	C8	H16	116.364

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)