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	hartrees
Energy at 0K	-308.845083
Energy at 298.15K	-308.852579
HF Energy	-307.636355
Nuclear repulsion energy	319.697777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3284	3111	11.65
2	A	3231	3060	13.90
3	A	3221	3051	28.00
4	A	3214	3044	9.24
5	A	3204	3034	0.44
6	A	3197	3028	7.79
7	A	3190	3021	3.32
8	A	3179	3011	10.36
9	A	1692	1602	4.40
10	A	1657	1570	2.19
11	A	1631	1545	2.53
12	A	1536	1455	13.28
13	A	1490	1411	3.83
14	A	1472	1394	4.18
15	A	1450	1373	4.83
16	A	1358	1286	1.27
17	A	1330	1260	1.29
18	A	1246	1180	2.37
19	A	1216	1152	0.09
20	A	1195	1132	0.02
21	A	1117	1057	4.68
22	A	1064	1007	0.34
23	A	1047	991	6.86
24	A	1014	961	3.15
25	A	1009	955	21.52
26	A	901	854	44.48
27	A	866	820	0.36
28	A	863	817	0.54
29	A	848	803	0.79
30	A	817	774	0.11
31	A	791	750	0.16
32	A	735	696	82.19
33	A	670	634	13.21
34	A	628	594	0.15
35	A	567	537	5.25
36	A	473	448	4.74
37	A	436	413	1.50
38	A	403	381	2.82
39	A	392	372	0.29
40	A	234	222	1.39
41	A	186	176	1.27
42	A	87	83	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	-0.220	-0.108
C2	0.009	1.090	-0.151
C3	-1.362	1.324	-0.045
C4	-2.253	0.254	0.086
C5	-1.761	-1.054	0.108
C6	-0.389	-1.287	0.004
C7	1.961	-0.495	-0.192
C8	2.928	0.325	0.253
H9	0.690	1.925	-0.293
H10	-1.739	2.343	-0.084
H11	-3.321	0.438	0.162
H12	-2.446	-1.893	0.201
H13	-0.010	-2.307	0.026
H14	2.245	-1.454	-0.626
H15	3.975	0.059	0.155
H16	2.701	1.271	0.734

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4053	2.4331	2.8169	2.4360	1.4048	1.4726	2.4978	2.1596	3.4144	3.9035	3.4171	2.1570	2.1856	3.4788	2.7746
C2	1.4053		1.3954	2.4231	2.7925	2.4152	2.5152	3.0446	1.0870	2.1520	3.4078	3.8792	3.4015	3.4199	4.1090	2.8395
C3	2.4331	1.3954		1.3983	2.4163	2.7873	3.7920	4.4155	2.1531	1.0869	2.1597	3.4033	3.8754	4.5901	5.4888	4.1378
C4	2.8169	2.4231	1.3983		1.3976	2.4200	4.2893	5.1842	3.4056	2.1578	1.0865	2.1584	3.4048	4.8636	6.2311	5.0985
C5	2.4360	2.7925	2.4163	1.3976		1.3957	3.7761	4.8899	3.8789	3.4025	2.1592	1.0868	2.1548	4.0924	5.8432	5.0703
C6	1.4048	2.4152	2.7873	2.4200	1.3957		2.4878	3.6963	3.4017	3.8741	3.4056	2.1536	1.0881	2.7134	4.5692	4.0771
C7	1.4726	2.5152	3.7920	4.2893	3.7761	2.4878		1.3432	2.7358	4.6649	5.3758	4.6404	2.6860	1.0897	2.1169	2.1264
C8	2.4978	3.0446	4.4155	5.1842	4.8899	3.6963	1.3432		2.8049	5.0962	6.2508	5.8140	3.9506	2.0976	1.0843	1.0853
H9	2.1596	1.0870	2.1531	3.4056	3.8789	3.4017	2.7358	2.8049		2.4740	4.3022	4.9655	4.3014	3.7345	3.8042	2.3506
H10	3.4144	2.1520	1.0869	2.1578	3.4025	3.8741	4.6649	5.0962	2.4740		2.4882	4.3035	4.9622	5.5303	6.1583	4.6406
H11	3.9035	3.4078	2.1597	1.0865	2.1592	3.4056	5.3758	6.2508	4.3022	2.4882		2.4896	4.3030	5.9313	7.3057	6.1062
H12	3.4171	3.8792	3.4033	2.1584	1.0868	2.1536	4.6404	5.8140	4.9655	4.3035	2.4896		2.4776	4.7838	6.7113	6.0651
H13	2.1570	3.4015	3.8754	3.4048	2.1548	1.0881	2.6860	3.9506	4.3014	4.9622	4.3030	2.4776		2.4974	4.6358	4.5440
H14	2.1856	3.4199	4.5901	4.8636	4.0924	2.7134	1.0897	2.0976	3.7345	5.5303	5.9313	4.7838	2.4974		2.4268	3.0785
H15	3.4788	4.1090	5.4888	6.2311	5.8432	4.5692	2.1169	1.0843	3.8042	6.1583	7.3057	6.7113	4.6358	2.4268		1.8508
H16	2.7746	2.8395	4.1378	5.0985	5.0703	4.0771	2.1264	1.0853	2.3506	4.6406	6.1062	6.0651	4.5440	3.0785	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.625	C1	C2	H9	119.565
C1	C6	C5	120.875	C1	C6	H13	119.281
C1	C7	C8	124.948	C1	C7	H14	116.273
C2	C1	C6	118.517	C2	C1	C7	121.828
C2	C3	C4	120.304	C2	C3	H10	119.693
C3	C2	H9	119.793	C3	C4	C5	119.586
C3	C4	H11	120.202	C4	C3	H10	119.993
C4	C5	C6	120.067	C4	C5	H12	120.112
C5	C4	H11	120.210	C5	C6	H13	119.837
C6	C1	C7	119.652	C6	C5	H12	119.820
C7	C8	H15	121.031	C7	C8	H16	121.875
C8	C7	H14	118.757	H15	C8	H16	117.089

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)