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	hartrees
Energy at 0K	-308.632799
Energy at 298.15K	-308.640401
HF Energy	-307.583481
Nuclear repulsion energy	320.127440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3309	3118	11.37
2	A	3247	3060	13.08
3	A	3238	3051	26.09
4	A	3230	3044	8.11
5	A	3222	3035	1.45
6	A	3218	3032	1.23
7	A	3213	3027	7.38
8	A	3198	3014	11.55
9	A	1718	1619	3.38
10	A	1681	1584	1.68
11	A	1654	1558	2.02
12	A	1559	1469	11.66
13	A	1512	1424	3.57
14	A	1492	1406	4.85
15	A	1464	1380	2.66
16	A	1378	1298	1.50
17	A	1349	1271	1.55
18	A	1261	1188	1.89
19	A	1237	1165	0.09
20	A	1217	1147	0.03
21	A	1134	1069	3.66
22	A	1078	1016	0.24
23	A	1059	997	5.81
24	A	1026	967	13.25
25	A	1023	964	8.01
26	A	920	867	38.73
27	A	898	846	0.24
28	A	893	842	0.07
29	A	869	819	0.31
30	A	837	789	0.09
31	A	799	753	0.16
32	A	748	705	67.28
33	A	682	642	8.84
34	A	635	598	0.05
35	A	571	538	3.64
36	A	512	483	0.18
37	A	466	439	3.96
38	A	412	389	1.75
39	A	400	377	0.11
40	A	235	222	0.97
41	A	193	182	0.99
42	A	81	76	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-0.221	-0.097
C2	0.011	1.087	-0.136
C3	-1.357	1.324	-0.041
C4	-2.250	0.258	0.077
C5	-1.763	-1.049	0.097
C6	-0.393	-1.285	0.005
C7	1.956	-0.506	-0.168
C8	2.931	0.329	0.223
H9	0.696	1.922	-0.262
H10	-1.731	2.345	-0.076
H11	-3.319	0.444	0.144
H12	-2.451	-1.887	0.181
H13	-0.017	-2.306	0.024
H14	2.230	-1.489	-0.551
H15	3.976	0.050	0.136
H16	2.720	1.304	0.650

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4030	2.4288	2.8122	2.4321	1.4024	1.4701	2.4981	2.1578	3.4105	3.8992	3.4136	2.1550	2.1800	3.4789	2.7827
C2	1.4030		1.3925	2.4186	2.7873	2.4105	2.5140	3.0378	1.0874	2.1496	3.4036	3.8745	3.3974	3.4251	4.1067	2.8282
C3	2.4288	1.3925		1.3959	2.4118	2.7817	3.7872	4.4105	2.1506	1.0873	2.1578	3.3994	3.8703	4.5872	5.4861	4.1354
C4	2.8122	2.4186	1.3959		1.3949	2.4151	4.2820	5.1839	3.4014	2.1560	1.0870	2.1563	3.4004	4.8497	6.2298	5.1111
C5	2.4321	2.7873	2.4118	1.3949		1.3931	3.7680	4.8940	3.8742	3.3984	2.1572	1.0872	2.1527	4.0695	5.8436	5.0930
C6	1.4024	2.4105	2.7817	2.4151	1.3931		2.4811	3.7017	3.3977	3.8689	3.4013	2.1516	1.0886	2.6895	4.5705	4.0997
C7	1.4701	2.5140	3.7872	4.2820	3.7680	2.4811		1.3414	2.7370	4.6613	5.3689	4.6319	2.6778	1.0900	2.1169	2.1275
C8	2.4981	3.0378	4.4105	5.1839	4.8940	3.7017	1.3414		2.7873	5.0883	6.2517	5.8208	3.9589	2.0956	1.0846	1.0855
H9	2.1578	1.0874	2.1506	3.4014	3.8742	3.3977	2.7370	2.7873		2.4710	4.2981	4.9614	4.2978	3.7511	3.7970	2.3042
H10	3.4105	2.1496	1.0873	2.1560	3.3984	3.8689	4.6613	5.0883	2.4710		2.4861	4.2999	4.9575	5.5327	6.1545	4.6283
H11	3.8992	3.4036	2.1578	1.0870	2.1572	3.4013	5.3689	6.2517	4.2981	2.4861		2.4876	4.2991	5.9173	7.3055	6.1205
H12	3.4136	3.8745	3.3994	2.1563	1.0872	2.1516	4.6319	5.8208	4.9614	4.2999	2.4876		2.4753	4.7553	6.7130	6.0942
H13	2.1550	3.3974	3.8703	3.4004	2.1527	1.0886	2.6778	3.9589	4.2978	4.9575	4.2991	2.4753		2.4596	4.6378	4.5730
H14	2.1800	3.4251	4.5872	4.8497	4.0695	2.6895	1.0900	2.0956	3.7511	5.5327	5.9173	4.7553	2.4596		2.4264	3.0788
H15	3.4789	4.1067	5.4861	6.2298	5.8436	4.5705	2.1169	1.0846	3.7970	6.1545	7.3055	6.7130	4.6378	2.4264		1.8474
H16	2.7827	2.8282	4.1354	5.1111	5.0930	4.0997	2.1275	1.0855	2.3042	4.6283	6.1205	6.0942	4.5730	3.0788	1.8474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.649	C1	C2	H9	119.559
C1	C6	C5	120.920	C1	C6	H13	119.254
C1	C7	C8	125.319	C1	C7	H14	115.968
C2	C1	C6	118.465	C2	C1	C7	122.075
C2	C3	C4	120.312	C2	C3	H10	119.684
C3	C2	H9	119.779	C3	C4	C5	119.584
C3	C4	H11	120.191	C4	C3	H10	119.997
C4	C5	C6	120.053	C4	C5	H12	120.118
C5	C4	H11	120.222	C5	C6	H13	119.822
C6	C1	C7	119.459	C6	C5	H12	119.829
C7	C8	H15	121.163	C7	C8	H16	122.123
C8	C7	H14	118.698	H15	C8	H16	116.710

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)