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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	-134.807758
Energy at 298.15K	-134.815975
HF Energy	-134.269459
Nuclear repulsion energy	82.917235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3348	0.04
2	A'	3191	3014	24.66
3	A'	3114	2941	28.76
4	A'	3095	2923	13.05
5	A'	1682	1589	21.44
6	A'	1537	1452	1.79
7	A'	1519	1435	0.04
8	A'	1427	1348	8.00
9	A'	1395	1318	11.69
10	A'	1182	1116	9.76
11	A'	1101	1040	24.39
12	A'	926	875	87.55
13	A'	892	843	75.08
14	A'	403	381	5.43
15	A"	3640	3438	1.25
16	A"	3195	3017	34.46
17	A"	3162	2987	5.83
18	A"	1526	1441	6.78
19	A"	1412	1334	0.00
20	A"	1289	1217	0.03
21	A"	1019	962	1.41
22	A"	786	742	1.21
23	A"	307	290	35.34
24	A"	264	249	13.46

Atom	x (Å)	y (Å)	z (Å)
N1	-1.305	-0.087	0.000
C2	0.000	0.575	0.000
C3	1.208	-0.354	0.000
H4	2.148	0.204	0.000
H5	1.204	-0.998	0.882
H6	1.204	-0.998	-0.882
H7	0.036	1.230	-0.873
H8	0.036	1.230	0.873
H9	-1.369	-0.690	0.811
H10	-1.369	-0.690	-0.811

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4632	2.5267	3.4653	2.8111	2.8111	2.0722	2.0722	1.0122	1.0122
C2	1.4632		1.5233	2.1797	2.1682	2.1682	1.0922	1.0922	2.0325	2.0325
C3	2.5267	1.5233		1.0935	1.0921	1.0921	2.1550	2.1550	2.7222	2.7222
H4	3.4653	2.1797	1.0935		1.7649	1.7649	2.5053	2.5053	3.7185	3.7185
H5	2.8111	2.1682	1.0921	1.7649		1.7631	3.0674	2.5159	2.5926	3.0951
H6	2.8111	2.1682	1.0921	1.7649	1.7631		2.5159	3.0674	3.0951	2.5926
H7	2.0722	1.0922	2.1550	2.5053	3.0674	2.5159		1.7465	2.9145	2.3796
H8	2.0722	1.0922	2.1550	2.5053	2.5159	3.0674	1.7465		2.3796	2.9145
H9	1.0122	2.0325	2.7222	3.7185	2.5926	3.0951	2.9145	2.3796		1.6213
H10	1.0122	2.0325	2.7222	3.7185	3.0951	2.5926	2.3796	2.9145	1.6213

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: MP2/6-31G(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	115.552	N1	C2	H7	107.481
N1	C2	H8	107.481	C2	N1	H9	109.021
C2	N1	H10	109.021	C2	C3	H4	111.760
C2	C3	H5	110.922	C2	C3	H6	110.922
C3	C2	H7	109.859	C3	C2	H8	109.859
H4	C3	H5	107.704	H4	C3	H6	107.704
H5	C3	H6	107.651	H7	C2	H8	106.166
H9	N1	H10	106.433

	hartrees
Energy at 0K	-134.807463
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)