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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	-134.706614
Energy at 298.15K	-134.714872
HF Energy	-134.246700
Nuclear repulsion energy	82.694897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3298	0.96
2	A'	3172	2977	36.95
3	A'	3108	2917	32.53
4	A'	3089	2900	18.35
5	A'	1737	1631	26.07
6	A'	1568	1472	2.52
7	A'	1551	1455	0.13
8	A'	1472	1381	9.59
9	A'	1429	1341	12.59
10	A'	1203	1129	13.38
11	A'	1119	1050	28.94
12	A'	952	894	137.73
13	A'	913	857	40.85
14	A'	414	388	6.92
15	A"	3600	3379	0.29
16	A"	3173	2978	57.93
17	A"	3145	2952	4.38
18	A"	1556	1460	7.40
19	A"	1433	1345	0.00
20	A"	1319	1238	0.03
21	A"	1038	974	1.56
22	A"	799	750	0.76
23	A"	318	298	48.42
24	A"	270	253	12.33

Atom	x (Å)	y (Å)	z (Å)
N1	-1.308	-0.087	0.000
C2	0.000	0.577	0.000
C3	1.212	-0.356	0.000
H4	2.151	0.208	0.000
H5	1.204	-1.001	0.886
H6	1.204	-1.001	-0.886
H7	0.036	1.233	-0.877
H8	0.036	1.233	0.877
H9	-1.373	-0.698	0.812
H10	-1.373	-0.698	-0.812

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4669	2.5339	3.4714	2.8161	2.8161	2.0779	2.0779	1.0188	1.0188
C2	1.4669		1.5295	2.1825	2.1738	2.1738	1.0956	1.0956	2.0426	2.0426
C3	2.5339	1.5295		1.0954	1.0958	1.0958	2.1625	2.1625	2.7308	2.7308
H4	3.4714	2.1825	1.0954		1.7726	1.7726	2.5087	2.5087	3.7281	3.7281
H5	2.8161	2.1738	1.0958	1.7726		1.7719	3.0762	2.5209	2.5958	3.1011
H6	2.8161	2.1738	1.0958	1.7726	1.7719		2.5209	3.0762	3.1011	2.5958
H7	2.0779	1.0956	2.1625	2.5087	3.0762	2.5209		1.7539	2.9274	2.3916
H8	2.0779	1.0956	2.1625	2.5087	2.5209	3.0762	1.7539		2.3916	2.9274
H9	1.0188	2.0426	2.7308	3.7281	2.5958	3.1011	2.9274	2.3916		1.6246
H10	1.0188	2.0426	2.7308	3.7281	3.1011	2.5958	2.3916	2.9274	1.6246

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: MP3/6-31G*

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	115.472	N1	C2	H7	107.480
N1	C2	H8	107.480	C2	N1	H9	109.188
C2	N1	H10	109.188	C2	C3	H4	111.429
C2	C3	H5	110.709	C2	C3	H6	110.709
C3	C2	H7	109.827	C3	C2	H8	109.827
H4	C3	H5	107.983	H4	C3	H6	107.983
H5	C3	H6	107.894	H7	C2	H8	106.337
H9	N1	H10	105.750

	hartrees
Energy at 0K	-134.706292
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

using model chemistry: MP3/6-31G*

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)