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	hartrees
Energy at 0K	-308.167525
Energy at 298.15K	-308.175044
HF Energy	-307.493247
Nuclear repulsion energy	314.013004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3141	29.47
2	A	3207	3096	22.48
3	A	3190	3079	52.02
4	A	3178	3068	18.43
5	A	3163	3054	0.70
6	A	3156	3046	11.52
7	A	3152	3042	7.15
8	A	3137	3029	16.55
9	A	1650	1593	6.50
10	A	1611	1555	3.53
11	A	1587	1532	2.97
12	A	1512	1459	10.67
13	A	1487	1435	0.89
14	A	1454	1404	8.05
15	A	1374	1326	0.19
16	A	1366	1318	2.11
17	A	1329	1283	0.57
18	A	1227	1185	1.94
19	A	1223	1181	0.31
20	A	1199	1157	0.06
21	A	1101	1063	5.62
22	A	1048	1011	3.33
23	A	1034	998	6.79
24	A	998	963	1.81
25	A	988	953	35.32
26	A	881	851	0.07
27	A	876	845	0.19
28	A	853	823	56.90
29	A	844	815	0.73
30	A	803	775	0.25
31	A	771	744	0.76
32	A	743	718	62.58
33	A	665	642	48.69
34	A	633	611	0.41
35	A	626	605	0.24
36	A	560	540	4.15
37	A	458	442	8.14
38	A	408	394	4.43
39	A	395	381	0.09
40	A	231	223	1.27
41	A	186	179	1.98
42	A	69	67	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.526	-0.227	-0.089
C2	0.013	1.111	-0.130
C3	-1.386	1.353	-0.042
C4	-2.299	0.264	0.074
C5	-1.802	-1.071	0.094
C6	-0.402	-1.312	0.007
C7	1.994	-0.518	-0.166
C8	2.998	0.335	0.216
H9	0.702	1.953	-0.251
H10	-1.762	2.380	-0.078
H11	-3.376	0.452	0.135
H12	-2.496	-1.914	0.173
H13	-0.023	-2.340	0.027
H14	2.268	-1.507	-0.556
H15	4.048	0.047	0.118
H16	2.793	1.322	0.643

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4329	2.4803	2.8719	2.4828	1.4316	1.4992	2.5532	2.1925	3.4685	3.9664	3.4707	2.1872	2.2119	3.5388	2.8418
C2	1.4329		1.4224	2.4707	2.8468	2.4621	2.5652	3.1034	1.0947	2.1829	3.4622	3.9413	3.4550	3.4815	4.1801	2.8937
C3	2.4803	1.4224		1.4260	2.4634	2.8412	3.8655	4.5077	2.1822	1.0947	2.1914	3.4570	3.9373	4.6686	5.5908	4.2352
C4	2.8719	2.4707	1.4260		1.4250	2.4670	4.3708	5.2993	3.4589	2.1887	1.0945	2.1890	3.4589	4.9387	6.3510	5.2324
C5	2.4828	2.8468	2.4634	1.4250		1.4225	3.8450	5.0025	3.9411	3.4561	2.1906	1.0946	2.1857	4.1441	5.9557	5.2099
C6	1.4316	2.4621	2.8412	2.4670	1.4225		2.5309	3.7837	3.4563	3.9358	3.4595	2.1844	1.0961	2.7358	4.6547	4.1898
C7	1.4992	2.5652	3.8655	4.3708	3.8450	2.5309		1.3708	2.7897	4.7454	5.4652	4.7144	2.7260	1.0983	2.1486	2.1624
C8	2.5532	3.1034	4.5077	5.2993	5.0025	3.7837	1.3708		2.8474	5.1891	6.3749	5.9359	4.0397	2.1265	1.0933	1.0944
H9	2.1925	1.0947	2.1822	3.4589	3.9411	3.4563	2.7897	2.8474		2.5067	4.3621	5.0355	4.3630	3.8104	3.8682	2.3606
H10	3.4685	2.1829	1.0947	2.1887	3.4561	3.9358	4.7454	5.1891	2.5067		2.5234	4.3638	5.0319	5.6199	6.2640	4.7322
H11	3.9664	3.4622	2.1914	1.0945	2.1906	3.4595	5.4652	6.3749	4.3621	2.5234		2.5245	4.3641	6.0137	7.4346	6.2508
H12	3.4707	3.9413	3.4570	2.1890	1.0946	2.1844	4.7144	5.9359	5.0355	4.3638	2.5245		2.5130	4.8361	6.8315	6.2181
H13	2.1872	3.4550	3.9373	3.4589	2.1857	1.0961	2.7260	4.0397	4.3630	5.0319	4.3641	2.5130		2.5067	4.7208	4.6610
H14	2.2119	3.4815	4.6686	4.9387	4.1441	2.7358	1.0983	2.1265	3.8104	5.6199	6.0137	4.8361	2.5067		2.4576	3.1171
H15	3.5388	4.1801	5.5908	6.3510	5.9557	4.6547	2.1486	1.0933	3.8682	6.2640	7.4346	6.8315	4.7208	2.4576		1.8636
H16	2.8418	2.8937	4.2352	5.2324	5.2099	4.1898	2.1624	1.0944	2.3606	4.7322	6.2508	6.2181	4.6610	3.1171	1.8636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.610	C1	C2	H9	119.723
C1	C6	C5	120.897	C1	C6	H13	119.242
C1	C7	C8	125.588	C1	C7	H14	115.909
C2	C1	C6	118.527	C2	C1	C7	122.043
C2	C3	C4	120.320	C2	C3	H10	119.719
C3	C2	H9	119.655	C3	C4	C5	119.548
C3	C4	H11	120.219	C4	C3	H10	119.955
C4	C5	C6	120.078	C4	C5	H12	120.072
C5	C4	H11	120.230	C5	C6	H13	119.856
C6	C1	C7	119.423	C6	C5	H12	119.849
C7	C8	H15	120.963	C7	C8	H16	122.203
C8	C7	H14	118.501	H15	C8	H16	116.830

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)