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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	-134.894612
Energy at 298.15K	-134.902765
HF Energy	-134.306293
Nuclear repulsion energy	82.974853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3347	1.27
2	A'	3148	2999	31.96
3	A'	3081	2936	28.93
4	A'	3057	2913	17.36
5	A'	1654	1577	21.84
6	A'	1522	1450	2.38
7	A'	1506	1435	0.21
8	A'	1412	1346	9.33
9	A'	1384	1319	11.14
10	A'	1158	1103	9.51
11	A'	1094	1042	22.83
12	A'	904	862	14.11
13	A'	853	813	137.23
14	A'	400	382	7.07
15	A"	3607	3437	3.21
16	A"	3154	3006	41.32
17	A"	3124	2977	3.14
18	A"	1513	1441	8.07
19	A"	1396	1330	0.02
20	A"	1278	1218	0.14
21	A"	1009	961	1.23
22	A"	781	744	0.62
23	A"	282	269	16.53
24	A"	252	240	28.20

Atom	x (Å)	y (Å)	z (Å)
N1	-1.302	-0.098	0.000
C2	0.000	0.574	0.000
C3	1.210	-0.345	0.000
H4	2.143	0.222	0.000
H5	1.210	-0.988	0.881
H6	1.210	-0.988	-0.881
H7	0.030	1.227	-0.872
H8	0.030	1.227	0.872
H9	-1.384	-0.693	0.814
H10	-1.384	-0.693	-0.814

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4652	2.5242	3.4603	2.8072	2.8072	2.0720	2.0720	1.0120	1.0120
C2	1.4652		1.5194	2.1721	2.1636	2.1636	1.0905	1.0905	2.0456	2.0456
C3	2.5242	1.5194		1.0922	1.0908	1.0908	2.1508	2.1508	2.7411	2.7411
H4	3.4603	2.1721	1.0922		1.7640	1.7640	2.4975	2.4975	3.7342	3.7342
H5	2.8072	2.1636	1.0908	1.7640		1.7624	3.0621	2.5102	2.6119	3.1133
H6	2.8072	2.1636	1.0908	1.7640	1.7624		2.5102	3.0621	3.1133	2.6119
H7	2.0720	1.0905	2.1508	2.4975	3.0621	2.5102		1.7448	2.9214	2.3859
H8	2.0720	1.0905	2.1508	2.4975	2.5102	3.0621	1.7448		2.3859	2.9214
H9	1.0120	2.0456	2.7411	3.7342	2.6119	3.1133	2.9214	2.3859		1.6289
H10	1.0120	2.0456	2.7411	3.7342	3.1133	2.6119	2.3859	2.9214	1.6289

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: MP2/aug-cc-pVTZ

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	115.484	N1	C2	H7	107.428
N1	C2	H8	107.428	C2	N1	H9	109.979
C2	N1	H10	109.979	C2	C3	H4	111.494
C2	C3	H5	110.898	C2	C3	H6	110.898
C3	C2	H7	109.904	C3	C2	H8	109.904
H4	C3	H5	107.813	H4	C3	H6	107.813
H5	C3	H6	107.767	H7	C2	H8	106.262
H9	N1	H10	107.180

	hartrees
Energy at 0K	-134.894877
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

using model chemistry: MP2/aug-cc-pVTZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)