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	hartrees
Energy at 0K	-171.618753
Energy at 298.15K
HF Energy	-170.993618
Nuclear repulsion energy	102.281039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3121	3004
2	A'	3053	2939
3	A'	3040	2926
4	A'	2284	2198
5	A'	1526	1469
6	A'	1505	1448
7	A'	1441	1387
8	A'	1369	1318
9	A'	1104	1063
10	A'	1031	992
11	A'	840	809
12	A'	535	515
13	A'	207	199
14	A"	3127	3010
15	A"	3093	2977
16	A"	1521	1464
17	A"	1305	1257
18	A"	1131	1089
19	A"	791	762
20	A"	376	362
21	A"	223	214

Atom	x (Å)	y (Å)	z (Å)
C1	1.517	0.568	0.000
C2	0.000	0.823	0.000
C3	-0.773	-0.434	0.000
N4	-1.365	-1.440	0.000
H5	2.054	1.525	0.000
H6	1.817	0.002	0.888
H7	1.817	0.002	-0.888
H8	-0.297	1.404	0.883
H9	-0.297	1.404	-0.883

	C1	C2	C3	N4	H5	H6	H7	H8	H9
C1		1.5384	2.5002	3.5132	1.0964	1.0957	1.0957	2.1837	2.1837
C2	1.5384		1.4759	2.6429	2.1703	2.1830	2.1830	1.0978	1.0978
C3	2.5002	1.4759		1.1670	3.4392	2.7727	2.7727	2.0939	2.0939
N4	3.5132	2.6429	1.1670		4.5253	3.6048	3.6048	3.1633	3.1633
H5	1.0964	2.1703	3.4392	4.5253		1.7791	1.7791	2.5141	2.5141
H6	1.0957	2.1830	2.7727	3.6048	1.7791		1.7770	2.5367	3.0940
H7	1.0957	2.1830	2.7727	3.6048	1.7791	1.7770		3.0940	2.5367
H8	2.1837	1.0978	2.0939	3.1633	2.5141	2.5367	3.0940		1.7660
H9	2.1837	1.0978	2.0939	3.1633	2.5141	3.0940	2.5367	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.064	C1	C2	H8	110.755
C1	C2	H9	110.755	C2	C1	H5	109.778
C2	C1	H6	110.819	C2	C1	H7	110.819
C2	C3	N4	178.911	C3	C2	H8	107.989
C3	C2	H9	107.989	H5	C1	H6	108.498
H5	C1	H7	108.498	H6	C1	H7	108.357
H8	C2	H9	107.100

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

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

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