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	hartrees
Energy at 0K	-308.697975
Energy at 298.15K	-308.705608
HF Energy	-307.598359
Nuclear repulsion energy	320.466436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3346	3127	12.03
2	A	3282	3067	13.81
3	A	3272	3057	28.02
4	A	3264	3050	8.03
5	A	3255	3041	1.01
6	A	3248	3035	7.73
7	A	3246	3033	2.30
8	A	3231	3019	12.46
9	A	1724	1611	3.60
10	A	1684	1573	1.63
11	A	1657	1548	1.68
12	A	1561	1458	9.45
13	A	1514	1415	2.67
14	A	1495	1397	4.06
15	A	1466	1370	2.30
16	A	1376	1286	1.54
17	A	1347	1259	1.66
18	A	1260	1178	1.07
19	A	1230	1149	0.06
20	A	1210	1131	0.03
21	A	1131	1057	3.32
22	A	1076	1005	0.21
23	A	1057	988	4.70
24	A	1032	964	18.24
25	A	1023	955	1.04
26	A	922	861	29.82
27	A	918	857	4.08
28	A	914	854	0.12
29	A	881	823	0.25
30	A	846	790	0.08
31	A	799	747	0.16
32	A	749	700	61.57
33	A	680	635	5.89
34	A	633	592	0.05
35	A	569	532	3.74
36	A	504	471	0.14
37	A	464	434	3.49
38	A	410	383	1.51
39	A	398	372	0.12
40	A	234	219	0.93
41	A	193	180	0.83
42	A	83	78	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-0.222	-0.098
C2	0.012	1.087	-0.137
C3	-1.356	1.324	-0.041
C4	-2.249	0.258	0.078
C5	-1.763	-1.049	0.097
C6	-0.393	-1.285	0.004
C7	1.955	-0.506	-0.169
C8	2.928	0.329	0.224
H9	0.695	1.917	-0.263
H10	-1.728	2.339	-0.076
H11	-3.312	0.444	0.145
H12	-2.448	-1.882	0.181
H13	-0.018	-2.301	0.023
H14	2.229	-1.483	-0.551
H15	3.968	0.053	0.138
H16	2.710	1.298	0.651

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4026	2.4279	2.8107	2.4310	1.4019	1.4694	2.4956	2.1526	3.4048	3.8923	3.4077	2.1497	2.1759	3.4715	2.7725
C2	1.4026		1.3920	2.4176	2.7867	2.4102	2.5123	3.0339	1.0821	2.1450	3.3975	3.8685	3.3916	3.4193	4.0974	2.8183
C3	2.4279	1.3920		1.3954	2.4113	2.7812	3.7852	4.4058	2.1465	1.0819	2.1527	3.3937	3.8643	4.5821	5.4762	4.1246
C4	2.8107	2.4176	1.3954		1.3944	2.4142	4.2798	5.1790	3.3960	2.1509	1.0816	2.1513	3.3949	4.8456	6.2200	5.0989
C5	2.4310	2.7867	2.4113	1.3944		1.3926	3.7667	4.8902	3.8683	3.3927	2.1522	1.0818	2.1484	4.0675	5.8355	5.0811
C6	1.4019	2.4102	2.7812	2.4142	1.3926		2.4805	3.6990	3.3921	3.8629	3.3953	2.1469	1.0832	2.6882	4.5636	4.0888
C7	1.4694	2.5123	3.7852	4.2798	3.7667	2.4805		1.3406	2.7322	4.6549	5.3613	4.6265	2.6749	1.0848	2.1111	2.1198
C8	2.4956	3.0339	4.4058	5.1790	4.8902	3.6990	1.3406		2.7828	5.0801	6.2413	5.8127	3.9543	2.0911	1.0793	1.0804
H9	2.1526	1.0821	2.1465	3.3960	3.8683	3.3921	2.7322	2.7828		2.4666	4.2884	4.9500	4.2871	3.7413	3.7873	2.2976
H10	3.4048	2.1450	1.0819	2.1509	3.3927	3.8629	4.6549	5.0801	2.4666		2.4798	4.2896	4.9461	5.5225	6.1410	4.6162
H11	3.8923	3.3975	2.1527	1.0816	2.1522	3.3953	5.3613	6.2413	4.2884	2.4798		2.4813	4.2893	5.9082	7.2902	6.1032
H12	3.4077	3.8685	3.3937	2.1513	1.0818	2.1469	4.6265	5.8127	4.9500	4.2896	2.4813		2.4706	4.7511	6.7013	6.0773
H13	2.1497	3.3916	3.8643	3.3949	2.1484	1.0832	2.6749	3.9543	4.2871	4.9461	4.2893	2.4706		2.4598	4.6308	4.5594
H14	2.1759	3.4193	4.5821	4.8456	4.0675	2.6882	1.0848	2.0911	3.7413	5.5225	5.9082	4.7511	2.4598		2.4201	3.0672
H15	3.4715	4.0974	5.4762	6.2200	5.8355	4.5636	2.1111	1.0793	3.7873	6.1410	7.2902	6.7013	4.6308	2.4201		1.8419
H16	2.7725	2.8183	4.1246	5.0989	5.0811	4.0888	2.1198	1.0804	2.2976	4.6162	6.1032	6.0773	4.5594	3.0672	1.8419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.630	C1	C2	H9	119.521
C1	C6	C5	120.900	C1	C6	H13	119.219
C1	C7	C8	125.206	C1	C7	H14	116.025
C2	C1	C6	118.496	C2	C1	C7	122.014
C2	C3	C4	120.300	C2	C3	H10	119.709
C3	C2	H9	119.838	C3	C4	C5	119.610
C3	C4	H11	120.177	C4	C3	H10	119.983
C4	C5	C6	120.045	C4	C5	H12	120.106
C5	C4	H11	120.211	C5	C6	H13	119.878
C6	C1	C7	119.489	C6	C5	H12	119.849
C7	C8	H15	121.096	C7	C8	H16	121.856
C8	C7	H14	118.750	H15	C8	H16	117.044

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

using model chemistry: MP2=FULL/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 C6H5CHCH2 (Styrene)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)