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	hartrees
Energy at 0K	-172.018791
Energy at 298.15K
HF Energy	-172.018791
Nuclear repulsion energy	102.773202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3167	3016	17.61	81.07	0.69	0.82
2	A'	3087	2940	7.14	108.69	0.08	0.15
3	A'	3077	2931	19.32	148.10	0.01	0.01
4	A'	2390	2276	12.27	79.09	0.20	0.34
5	A'	1516	1443	7.66	6.38	0.73	0.84
6	A'	1486	1415	6.69	11.67	0.74	0.85
7	A'	1434	1365	2.94	2.08	0.34	0.51
8	A'	1361	1296	3.23	3.38	0.62	0.77
9	A'	1104	1052	4.90	4.10	0.13	0.24
10	A'	1033	983	0.83	5.99	0.46	0.63
11	A'	850	810	0.23	5.12	0.13	0.23
12	A'	552	526	1.08	2.46	0.34	0.50
13	A'	212	202	4.20	3.48	0.74	0.85
14	A"	3171	3019	16.33	24.88	0.75	0.86
15	A"	3134	2984	0.38	96.50	0.75	0.86
16	A"	1510	1438	9.96	11.58	0.75	0.86
17	A"	1296	1234	0.00	5.36	0.75	0.86
18	A"	1122	1068	0.51	0.04	0.75	0.86
19	A"	800	761	3.65	0.42	0.75	0.86
20	A"	393	374	0.17	3.58	0.75	0.86
21	A"	222	212	0.92	0.81	0.75	0.86

All results from a given calculation for C₂H₅CN (ethyl cyanide)

using model chemistry: wB97X-D/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 C2H5CN (ethyl cyanide)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for C₂H₅CN (ethyl cyanide)