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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	-134.769989
Energy at 298.15K	-134.778264
HF Energy	-134.262293
Nuclear repulsion energy	82.933083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3587	3338	1.02
2	A'	3212	2989	39.78
3	A'	3142	2924	35.42
4	A'	3124	2907	19.82
5	A'	1720	1600	22.09
6	A'	1572	1463	1.04
7	A'	1554	1446	0.05
8	A'	1475	1373	7.38
9	A'	1435	1335	15.17
10	A'	1201	1117	11.02
11	A'	1119	1042	26.78
12	A'	944	878	104.44
13	A'	910	847	64.50
14	A'	413	384	7.06
15	A"	3675	3420	0.38
16	A"	3213	2989	60.92
17	A"	3183	2962	6.80
18	A"	1561	1453	5.43
19	A"	1436	1336	0.00
20	A"	1322	1230	0.10
21	A"	1038	965	1.56
22	A"	798	743	0.28
23	A"	319	296	43.08
24	A"	272	253	13.53

Atom	x (Å)	y (Å)	z (Å)
N1	-1.306	-0.089	0.000
C2	0.000	0.573	0.000
C3	1.210	-0.352	0.000
H4	2.147	0.207	0.000
H5	1.207	-0.995	0.880
H6	1.207	-0.995	-0.880
H7	0.035	1.227	-0.871
H8	0.035	1.227	0.871
H9	-1.375	-0.689	0.811
H10	-1.375	-0.689	-0.811

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4643	2.5301	3.4653	2.8125	2.8125	2.0710	2.0710	1.0113	1.0113
C2	1.4643		1.5237	2.1776	2.1660	2.1660	1.0897	1.0897	2.0349	2.0349
C3	2.5301	1.5237		1.0908	1.0899	1.0899	2.1525	2.1525	2.7300	2.7300
H4	3.4653	2.1776	1.0908		1.7617	1.7617	2.5013	2.5013	3.7229	3.7229
H5	2.8125	2.1660	1.0899	1.7617		1.7602	3.0622	2.5119	2.6005	3.1013
H6	2.8125	2.1660	1.0899	1.7617	1.7602		2.5119	3.0622	3.1013	2.6005
H7	2.0710	1.0897	2.1525	2.5013	3.0622	2.5119		1.7426	2.9135	2.3793
H8	2.0710	1.0897	2.1525	2.5013	2.5119	3.0622	1.7426		2.3793	2.9135
H9	1.0113	2.0349	2.7300	3.7229	2.6005	3.1013	2.9135	2.3793		1.6225
H10	1.0113	2.0349	2.7300	3.7229	3.1013	2.6005	2.3793	2.9135	1.6225

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: MP3/6-31+G**

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	115.702	N1	C2	H7	107.461
N1	C2	H8	107.461	C2	N1	H9	109.196
C2	N1	H10	109.196	C2	C3	H4	111.726
C2	C3	H5	110.842	C2	C3	H6	110.842
C3	C2	H7	109.790	C3	C2	H8	109.790
H4	C3	H5	107.779	H4	C3	H6	107.779
H5	C3	H6	107.707	H7	C2	H8	106.186
H9	N1	H10	106.674

	hartrees
Energy at 0K	-134.778808
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

using model chemistry: MP3/6-31+G**

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)