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	hartrees
Energy at 0K	-308.758657
Energy at 298.15K	-308.766340
HF Energy	-307.608840
Nuclear repulsion energy	320.156914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3112	14.18
2	A	3301	3075	13.11
3	A	3291	3066	29.35
4	A	3282	3058	11.49
5	A	3272	3048	0.24
6	A	3266	3042	6.81
7	A	3252	3030	4.56
8	A	3242	3020	10.77
9	A	1750	1630	7.34
10	A	1708	1591	4.03
11	A	1678	1564	2.17
12	A	1579	1471	9.01
13	A	1527	1422	2.01
14	A	1499	1396	5.31
15	A	1393	1297	0.83
16	A	1363	1270	0.61
17	A	1330	1239	1.73
18	A	1261	1174	0.57
19	A	1237	1152	0.05
20	A	1204	1121	0.13
21	A	1136	1058	4.29
22	A	1082	1008	0.58
23	A	1064	991	5.03
24	A	1031	961	2.21
25	A	1028	957	19.98
26	A	941	877	0.19
27	A	940	876	43.25
28	A	928	865	0.54
29	A	891	830	0.22
30	A	855	796	0.09
31	A	803	748	0.37
32	A	754	702	89.05
33	A	679	633	8.05
34	A	640	596	0.11
35	A	577	538	5.57
36	A	518	483	0.36
37	A	466	434	5.31
38	A	407	379	2.23
39	A	399	372	1.39
40	A	238	221	1.46
41	A	185	172	1.32
42	A	85	79	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.513	-0.222	-0.068
C2	0.011	1.090	-0.104
C3	-1.360	1.328	-0.031
C4	-2.259	0.260	0.057
C5	-1.774	-1.048	0.072
C6	-0.399	-1.285	0.008
C7	1.959	-0.518	-0.129
C8	2.953	0.332	0.166
H9	0.692	1.924	-0.197
H10	-1.728	2.344	-0.059
H11	-3.322	0.448	0.105
H12	-2.459	-1.881	0.134
H13	-0.029	-2.301	0.022
H14	2.209	-1.532	-0.420
H15	3.985	0.025	0.093
H16	2.776	1.347	0.493

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4044	2.4307	2.8160	2.4350	1.4021	1.4780	2.5137	2.1568	3.4058	3.8962	3.4093	2.1503	2.1715	3.4851	2.8102
C2	1.4044		1.3935	2.4225	2.7905	2.4119	2.5255	3.0497	1.0806	2.1445	3.4008	3.8709	3.3931	3.4347	4.1187	2.8396
C3	2.4307	1.3935		1.3989	2.4141	2.7839	3.7988	4.4307	2.1430	1.0805	2.1549	3.3962	3.8655	4.5891	5.5028	4.1684
C4	2.8160	2.4225	1.3989		1.3956	2.4185	4.2936	5.2139	3.3972	2.1531	1.0802	2.1520	3.3962	4.8371	6.2488	5.1690
C5	2.4350	2.7905	2.4141	1.3956		1.3964	3.7759	4.9252	3.8709	3.3944	2.1529	1.0804	2.1485	4.0416	5.8580	5.1583
C6	1.4021	2.4119	2.7839	2.4185	1.3964		2.4837	3.7250	3.3948	3.8643	3.3990	2.1484	1.0817	2.6540	4.5763	4.1517
C7	1.4780	2.5255	3.7988	4.2936	3.7759	2.4837		1.3403	2.7512	4.6674	5.3737	4.6314	2.6753	1.0841	2.1088	2.1280
C8	2.5137	3.0497	4.4307	5.2139	4.9252	3.7250	1.3403		2.7885	5.0997	6.2764	5.8473	3.9809	2.0908	1.0792	1.0808
H9	2.1568	1.0806	2.1430	3.3972	3.8709	3.3948	2.7512	2.7885		2.4600	4.2874	4.9512	4.2912	3.7797	3.8121	2.2692
H10	3.4058	2.1445	1.0805	2.1531	3.3944	3.8643	4.6674	5.0997	2.4600		2.4823	4.2917	4.9460	5.5353	6.1674	4.6452
H11	3.8962	3.4008	2.1549	1.0802	2.1529	3.3990	5.3737	6.2764	4.2874	2.4823		2.4837	4.2900	5.8972	7.3192	6.1755
H12	3.4093	3.8709	3.3962	2.1520	1.0804	2.1484	4.6314	5.8473	4.9512	4.2917	2.4837		2.4685	4.7133	6.7202	6.1602
H13	2.1503	3.3931	3.8655	3.3962	2.1485	1.0817	2.6753	3.9809	4.2912	4.9460	4.2900	2.4685		2.4072	4.6399	4.6253
H14	2.1715	3.4347	4.5891	4.8371	4.0416	2.6540	1.0841	2.0908	3.7797	5.5353	5.8972	4.7133	2.4072		2.4170	3.0725
H15	3.4851	4.1187	5.5028	6.2488	5.8580	4.5763	2.1088	1.0792	3.8121	6.1674	7.3192	6.7202	4.6399	2.4170		1.8361
H16	2.8102	2.8396	4.1684	5.1690	5.1583	4.1517	2.1280	1.0808	2.2692	4.6452	6.1755	6.1602	4.6253	3.0725	1.8361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.634	C1	C2	H9	119.869
C1	C6	C5	120.939	C1	C6	H13	119.378
C1	C7	C8	126.165	C1	C7	H14	115.028
C2	C1	C6	118.502	C2	C1	C7	122.349
C2	C3	C4	120.350	C2	C3	H10	119.646
C3	C2	H9	119.495	C3	C4	C5	119.515
C3	C4	H11	120.193	C4	C3	H10	119.997
C4	C5	C6	120.044	C4	C5	H12	120.188
C5	C4	H11	120.291	C5	C6	H13	119.682
C6	C1	C7	119.142	C6	C5	H12	119.768
C7	C8	H15	120.906	C7	C8	H16	122.668
C8	C7	H14	118.792	H15	C8	H16	116.424

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

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

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)