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	hartrees
Energy at 0K	-308.717884
Energy at 298.15K	-308.725446
HF Energy	-307.608184
Nuclear repulsion energy	320.006673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3134	11.04
2	A	3276	3077	13.56
3	A	3266	3067	26.68
4	A	3258	3060	7.24
5	A	3248	3051	0.87
6	A	3241	3044	8.16
7	A	3238	3041	2.32
8	A	3224	3028	11.09
9	A	1706	1603	7.14
10	A	1671	1570	2.93
11	A	1645	1545	1.81
12	A	1550	1456	8.32
13	A	1504	1413	1.68
14	A	1487	1397	3.61
15	A	1463	1374	2.76
16	A	1370	1287	1.17
17	A	1340	1259	0.94
18	A	1255	1179	0.98
19	A	1224	1150	0.07
20	A	1204	1131	0.02
21	A	1124	1056	4.74
22	A	1070	1005	0.54
23	A	1052	988	5.94
24	A	1021	959	7.07
25	A	1018	956	17.15
26	A	925	869	42.91
27	A	913	858	0.18
28	A	905	850	0.43
29	A	872	819	0.20
30	A	837	786	0.10
31	A	797	748	0.33
32	A	740	695	91.49
33	A	672	631	7.82
34	A	630	592	0.11
35	A	568	534	5.46
36	A	479	450	1.73
37	A	454	426	4.02
38	A	398	374	1.95
39	A	389	365	1.67
40	A	235	220	1.53
41	A	180	169	1.23
42	A	89	83	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	-0.219	-0.105
C2	0.009	1.089	-0.154
C3	-1.362	1.324	-0.043
C4	-2.252	0.253	0.084
C5	-1.760	-1.054	0.108
C6	-0.388	-1.287	0.005
C7	1.959	-0.494	-0.195
C8	2.927	0.324	0.254
H9	0.688	1.922	-0.288
H10	-1.738	2.338	-0.085
H11	-3.315	0.436	0.160
H12	-2.442	-1.889	0.199
H13	-0.009	-2.302	0.028
H14	2.240	-1.445	-0.635
H15	3.969	0.059	0.152
H16	2.700	1.263	0.739

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4044	2.4318	2.8151	2.4345	1.4041	1.4705	2.4962	2.1552	3.4091	3.8973	3.4117	2.1527	2.1805	3.4728	2.7697
C2	1.4044		1.3948	2.4216	2.7909	2.4140	2.5124	3.0449	1.0827	2.1480	3.4022	3.8733	3.3961	3.4111	4.1041	2.8409
C3	2.4318	1.3948		1.3976	2.4154	2.7863	3.7886	4.4141	2.1492	1.0825	2.1554	3.3982	3.8701	4.5818	5.4827	4.1367
C4	2.8151	2.4216	1.3976		1.3970	2.4188	4.2854	5.1822	3.4004	2.1535	1.0821	2.1541	3.3999	4.8559	6.2244	5.0956
C5	2.4345	2.7909	2.4154	1.3970		1.3951	3.7727	4.8873	3.8733	3.3973	2.1550	1.0824	2.1509	4.0872	5.8361	5.0648
C6	1.4041	2.4140	2.7863	2.4188	1.3951		2.4852	3.6939	3.3966	3.8686	3.4004	2.1494	1.0838	2.7097	4.5625	4.0709
C7	1.4705	2.5124	3.7886	4.2854	3.7727	2.4852		1.3443	2.7313	4.6580	5.3676	4.6336	2.6820	1.0854	2.1135	2.1230
C8	2.4962	3.0449	4.4141	5.1822	4.8873	3.6939	1.3443		2.8040	5.0926	6.2445	5.8077	3.9457	2.0955	1.0801	1.0813
H9	2.1552	1.0827	2.1492	3.4004	3.8733	3.3966	2.7313	2.8040		2.4695	4.2935	4.9555	4.2925	3.7239	3.7992	2.3531
H10	3.4091	2.1480	1.0825	2.1535	3.3973	3.8686	4.6580	5.0926	2.4695		2.4830	4.2947	4.9524	5.5173	6.1501	4.6397
H11	3.8973	3.4022	2.1554	1.0821	2.1550	3.4004	5.3676	6.2445	4.2935	2.4830		2.4844	4.2946	5.9194	7.2946	6.0994
H12	3.4117	3.8733	3.3982	2.1541	1.0824	2.1494	4.6336	5.8077	4.9555	4.2947	2.4844		2.4732	4.7767	6.7009	6.0553
H13	2.1527	3.3961	3.8701	3.3999	2.1509	1.0838	2.6820	3.9457	4.2925	4.9524	4.2946	2.4732		2.4970	4.6279	4.5335
H14	2.1805	3.4111	4.5818	4.8559	4.0872	2.7097	1.0854	2.0955	3.7239	5.5173	5.9194	4.7767	2.4970		2.4228	3.0714
H15	3.4728	4.1041	5.4827	6.2244	5.8361	4.5625	2.1135	1.0801	3.7992	6.1501	7.2946	6.7009	4.6279	2.4228		1.8458
H16	2.7697	2.8409	4.1367	5.0956	5.0648	4.0709	2.1230	1.0813	2.3531	4.6397	6.0994	6.0553	4.5335	3.0714	1.8458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.628	C1	C2	H9	119.561
C1	C6	C5	120.855	C1	C6	H13	119.272
C1	C7	C8	124.890	C1	C7	H14	116.292
C2	C1	C6	118.531	C2	C1	C7	121.812
C2	C3	C4	120.277	C2	C3	H10	119.711
C3	C2	H9	119.809	C3	C4	C5	119.600
C3	C4	H11	120.192	C4	C3	H10	119.988
C4	C5	C6	120.066	C4	C5	H12	120.101
C5	C4	H11	120.208	C5	C6	H13	119.863
C6	C1	C7	119.643	C6	C5	H12	119.831
C7	C8	H15	120.941	C7	C8	H16	121.766
C8	C7	H14	118.795	H15	C8	H16	117.290

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

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

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)