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	hartrees
Energy at 0K
Energy at 298.15K	0.025597
HF Energy	0.025597
Nuclear repulsion energy	70.935364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2788	2962	29.17
2	A'	2733	2903	68.13
3	A'	2693	2861	53.34
4	A'	2364	2511	60.52
5	A'	1339	1422	72.19
6	A'	1301	1383	3.98
7	A'	1254	1333	19.08
8	A'	1251	1329	60.31
9	A'	1158	1230	9.42
10	A'	1103	1172	30.85
11	A'	932	991	14.33
12	A'	591	628	3.35
13	A'	233	248	2.45
14	A"	2694	2862	117.36
15	A"	2655	2820	37.98
16	A"	1253	1331	41.91
17	A"	1143	1215	3.76
18	A"	1068	1135	1.63
19	A"	838	891	45.49
20	A"	421	447	0.02
21	A"	142	151	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.503	0.542	0.000
C2	0.000	0.815	0.000
C3	-0.763	-0.424	0.000
N4	-1.367	-1.409	0.000
H5	2.073	1.479	0.000
H6	1.811	-0.032	0.884
H7	1.811	-0.032	-0.884
H8	-0.281	1.427	0.890
H9	-0.281	1.427	-0.890

	C1	C2	C3	N4	H5	H6	H7	H8	H9
C1		1.5271	2.4628	3.4704	1.0969	1.0981	1.0981	2.1807	2.1807
C2	1.5271		1.4550	2.6106	2.1771	2.1857	2.1857	1.1159	1.1159
C3	2.4628	1.4550		1.1556	3.4154	2.7491	2.7491	2.1095	2.1095
N4	3.4704	2.6106	1.1556		4.4921	3.5747	3.5747	3.1643	3.1643
H5	1.0969	2.1771	3.4154	4.4921		1.7699	1.7699	2.5176	2.5176
H6	1.0981	2.1857	2.7491	3.5747	1.7699		1.7674	2.5504	3.1064
H7	1.0981	2.1857	2.7491	3.5747	1.7699	1.7674		3.1064	2.5504
H8	2.1807	1.1159	2.1095	3.1643	2.5176	2.5504	3.1064		1.7797
H9	2.1807	1.1159	2.1095	3.1643	2.5176	3.1064	2.5504	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.329	C1	C2	H8	110.227
C1	C2	H9	110.227	C2	C1	H5	111.080
C2	C1	H6	111.693	C2	C1	H7	111.693
C2	C3	N4	179.946	C3	C2	H8	109.567
C3	C2	H9	109.567	H5	C1	H6	107.485
H5	C1	H7	107.485	H6	C1	H7	107.172
H8	C2	H9	105.771

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

using model chemistry: PM6

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: PM6

States and conformations

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