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	hartrees
Energy at 0K	-171.912932
Energy at 298.15K
HF Energy	-171.710970
Nuclear repulsion energy	102.334550

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'	3154	3154	18.07	68.60	0.70	0.82
2	A'	3076	3076	8.54	96.48	0.07	0.13
3	A'	3069	3069	15.88	209.21	0.00	0.01
4	A'	2273	2273	3.31	82.31	0.15	0.26
5	A'	1493	1493	4.91	2.68	0.73	0.84
6	A'	1460	1460	4.84	8.20	0.70	0.82
7	A'	1404	1404	1.24	0.72	0.35	0.52
8	A'	1338	1338	4.02	2.61	0.39	0.56
9	A'	1091	1091	3.10	6.36	0.12	0.21
10	A'	1027	1027	0.55	4.10	0.47	0.64
11	A'	843	843	0.21	6.80	0.06	0.12
12	A'	537	537	0.71	1.39	0.14	0.24
13	A'	208	208	4.17	1.95	0.70	0.83
14	A"	3158	3158	17.04	22.91	0.75	0.86
15	A"	3119	3119	0.71	83.67	0.75	0.86
16	A"	1486	1486	7.04	5.24	0.75	0.86
17	A"	1282	1282	0.00	2.01	0.75	0.86
18	A"	1107	1107	0.47	0.12	0.75	0.86
19	A"	782	782	2.64	0.36	0.75	0.86
20	A"	378	378	0.31	1.19	0.75	0.86
21	A"	220	220	1.05	0.33	0.75	0.86

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

using model chemistry: B2PLYP=FULL/daug-cc-pVDZ

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: B2PLYP=FULL/daug-cc-pVDZ

States and conformations

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