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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS trans	¹A^'
1	2	no	C1 gauche	¹A

	hartrees
Energy at 0K	-135.191677
Energy at 298.15K	-135.199802
HF Energy	-135.191677
Nuclear repulsion energy	82.532361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3328	2.29
2	A'	3091	2983	50.69
3	A'	3031	2925	35.72
4	A'	3018	2912	28.46
5	A'	1671	1612	15.51
6	A'	1516	1463	0.75
7	A'	1497	1445	0.01
8	A'	1412	1362	3.61
9	A'	1379	1331	17.56
10	A'	1157	1117	10.16
11	A'	1058	1021	23.20
12	A'	909	877	99.99
13	A'	865	835	55.60
14	A'	387	373	5.25
15	A"	3526	3402	0.72
16	A"	3097	2989	65.77
17	A"	3063	2956	5.97
18	A"	1507	1455	5.13
19	A"	1397	1348	0.00
20	A"	1274	1229	0.09
21	A"	1002	967	1.18
22	A"	769	742	0.98
23	A"	289	279	33.23
24	A"	250	241	11.65

Atom	x (Å)	y (Å)	z (Å)
N1	-1.313	-0.086	0.000
C2	0.000	0.573	0.000
C3	1.217	-0.354	0.000
H4	2.160	0.208	0.000
H5	1.218	-1.002	0.885
H6	1.218	-1.002	-0.885
H7	0.034	1.232	-0.876
H8	0.034	1.232	0.876
H9	-1.386	-0.690	0.814
H10	-1.386	-0.690	-0.814

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4699	2.5444	3.4857	2.8335	2.8335	2.0792	2.0792	1.0155	1.0155
C2	1.4699		1.5301	2.1904	2.1792	2.1792	1.0967	1.0967	2.0438	2.0438
C3	2.5444	1.5301		1.0980	1.0966	1.0966	2.1640	2.1640	2.7472	2.7472
H4	3.4857	2.1904	1.0980		1.7708	1.7708	2.5166	2.5166	3.7467	3.7467
H5	2.8335	2.1792	1.0966	1.7708		1.7692	3.0813	2.5288	2.6231	3.1241
H6	2.8335	2.1792	1.0966	1.7708	1.7692		2.5288	3.0813	3.1241	2.6231
H7	2.0792	1.0967	2.1640	2.5166	3.0813	2.5288		1.7520	2.9267	2.3903
H8	2.0792	1.0967	2.1640	2.5166	2.5288	3.0813	1.7520		2.3903	2.9267
H9	1.0155	2.0438	2.7472	3.7467	2.6231	3.1241	2.9267	2.3903		1.6277
H10	1.0155	2.0438	2.7472	3.7467	3.1241	2.6231	2.3903	2.9267	1.6277

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	116.001	N1	C2	H7	107.321
N1	C2	H8	107.321	C2	N1	H9	109.273
C2	N1	H10	109.273	C2	C3	H4	111.855
C2	C3	H5	111.046	C2	C3	H6	111.046
C3	C2	H7	109.837	C3	C2	H8	109.837
H4	C3	H5	107.579	H4	C3	H6	107.579
H5	C3	H6	107.537	H7	C2	H8	106.028
H9	N1	H10	106.526

	hartrees
Energy at 0K	-135.191038
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)