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	hartrees
Energy at 0K	-49.109613
Energy at 298.15K	-49.117316
HF Energy	-48.417478
Nuclear repulsion energy	158.738763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3121	30.18
2	A	3154	3078	27.00
3	A	3139	3063	59.43
4	A	3129	3054	18.22
5	A	3117	3042	1.42
6	A	3110	3036	13.28
7	A	3099	3025	10.54
8	A	3084	3010	15.77
9	A	1634	1594	4.98
10	A	1600	1561	4.08
11	A	1573	1535	2.57
12	A	1503	1467	9.04
13	A	1472	1437	0.59
14	A	1446	1412	6.81
15	A	1365	1332	0.34
16	A	1352	1320	1.90
17	A	1318	1286	0.48
18	A	1221	1192	1.34
19	A	1210	1181	0.06
20	A	1187	1158	0.03
21	A	1093	1066	4.34
22	A	1070	1044	2.81
23	A	1042	1017	1.62
24	A	1028	1003	6.93
25	A	990	967	1.62
26	A	974	951	23.76
27	A	926	904	5.22
28	A	880	859	8.35
29	A	851	831	52.55
30	A	820	800	0.16
31	A	782	763	12.08
32	A	753	734	11.76
33	A	690	673	69.30
34	A	642	626	3.25
35	A	622	607	0.22
36	A	557	543	3.86
37	A	461	450	8.47
38	A	404	394	1.61
39	A	391	382	0.92
40	A	229	224	1.38
41	A	184	180	1.19
42	A	87	85	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.528	-0.227	-0.089
C2	0.012	1.110	-0.169
C3	-1.387	1.357	-0.028
C4	-2.302	0.262	0.066
C5	-1.801	-1.075	0.127
C6	-0.401	-1.317	-0.008
C7	2.001	-0.506	-0.199
C8	2.992	0.329	0.258
H9	0.703	1.951	-0.282
H10	-1.766	2.381	-0.098
H11	-3.375	0.451	0.169
H12	-2.494	-1.919	0.188
H13	-0.017	-2.343	0.043
H14	2.281	-1.463	-0.659
H15	4.047	0.071	0.137
H16	2.766	1.274	0.762

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.4352	2.4854	2.8764	2.4877	1.4347	1.5033	2.5490	2.1938	3.4735	3.9699	3.4746	2.1890	2.2195	3.5383	2.8260
C2	1.4352		1.4268	2.4753	2.8538	2.4670	2.5633	3.1099	1.0948	2.1868	3.4666	3.9472	3.4591	3.4657	4.1778	2.9123
C3	2.4854	1.4268		1.4300	2.4713	2.8497	3.8698	4.5061	2.1870	1.0945	2.1939	3.4649	3.9452	4.6692	5.5857	4.2280
C4	2.8764	2.4753	1.4300		1.4293	2.4728	4.3794	5.2975	3.4646	2.1913	1.0941	2.1936	3.4650	4.9508	6.3519	5.2148
C5	2.4877	2.8538	2.4713	1.4293		1.4270	3.8579	4.9951	3.9486	3.4630	2.1926	1.0944	2.1896	4.1749	5.9583	5.1743
C6	1.4347	2.4670	2.8497	2.4728	1.4270		2.5425	3.7800	3.4607	3.9430	3.4644	2.1865	1.0961	2.7638	4.6613	4.1638
C7	1.5033	2.5633	3.8698	4.3794	3.8579	2.5425		1.3734	2.7808	4.7475	5.4730	4.7277	2.7398	1.0983	2.1516	2.1627
C8	2.5490	3.1099	4.5061	5.2975	4.9951	3.7800	1.3734		2.8570	5.1937	6.3683	5.9285	4.0296	2.1346	1.0929	1.0947
H9	2.1938	1.0948	2.1870	3.4646	3.9486	3.4607	2.7808	2.8570		2.5129	4.3683	5.0420	4.3662	3.7808	3.8593	2.4097
H10	3.4735	2.1868	1.0945	2.1913	3.4630	3.9430	4.7475	5.1937	2.5129		2.5265	4.3706	5.0388	5.6102	6.2596	4.7444
H11	3.9699	3.4666	2.1939	1.0941	2.1926	3.4644	5.4730	6.3683	4.3683	2.5265		2.5289	4.3695	6.0283	7.4313	6.2243
H12	3.4746	3.9472	3.4649	2.1936	1.0944	2.1865	4.7277	5.9285	5.0420	4.3706	2.5289		2.5163	4.8708	6.8365	6.1800
H13	2.1890	3.4591	3.9452	3.4650	2.1896	1.0961	2.7398	4.0296	4.3662	5.0388	4.3695	2.5163		2.5593	4.7276	4.6202
H14	2.2195	3.4657	4.6692	4.9508	4.1749	2.7638	1.0983	2.1346	3.7808	5.6102	6.0283	4.8708	2.5593		2.4705	3.1220
H15	3.5383	4.1778	5.5857	6.3519	5.9583	4.6613	2.1516	1.0929	3.8593	6.2596	7.4313	6.8365	4.7276	2.4705		1.8649
H16	2.8260	2.9123	4.2280	5.2148	5.1743	4.1638	2.1627	1.0947	2.4097	4.7444	6.2243	6.1800	4.6202	3.1220	1.8649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.551	C1	C2	H9	119.642
C1	C6	C5	120.760	C1	C6	H13	119.152
C1	C7	C8	124.711	C1	C7	H14	116.243
C2	C1	C6	118.545	C2	C1	C7	121.436
C2	C3	C4	120.104	C2	C3	H10	119.720
C3	C2	H9	119.714	C3	C4	C5	119.608
C3	C4	H11	120.147	C4	C3	H10	119.868
C4	C5	C6	119.936	C4	C5	H12	120.149
C5	C4	H11	120.083	C5	C6	H13	119.844
C6	C1	C7	119.836	C6	C5	H12	119.692
C7	C8	H15	121.055	C7	C8	H16	121.974
C8	C7	H14	119.029	H15	C8	H16	116.970

All results from a given calculation for C₆H₅CHCH₂ (Styrene)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₆H₅CHCH₂ (Styrene)