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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	-134.826863
Energy at 298.15K	-134.835102
Nuclear repulsion energy	82.635057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3511	3350	1.90
2	A'	3115	2972	47.50
3	A'	3061	2920	34.10
4	A'	3037	2898	23.82
5	A'	1674	1598	20.56
6	A'	1528	1458	1.48
7	A'	1508	1439	0.21
8	A'	1439	1373	11.82
9	A'	1407	1342	12.26
10	A'	1181	1127	10.16
11	A'	1099	1049	30.44
12	A'	937	894	122.28
13	A'	897	856	30.89
14	A'	404	385	7.04
15	A"	3590	3425	0.49
16	A"	3120	2977	70.30
17	A"	3093	2951	2.07
18	A"	1516	1446	6.82
19	A"	1416	1351	0.00
20	A"	1296	1236	0.26
21	A"	1026	979	1.42
22	A"	791	755	0.11
23	A"	317	303	36.18
24	A"	259	248	13.24

Atom	x (Å)	y (Å)	z (Å)
N1	-1.309	-0.083	0.000
C2	0.000	0.580	0.000
C3	1.211	-0.361	0.000
H4	2.154	0.200	0.000
H5	1.197	-1.006	0.887
H6	1.197	-1.006	-0.887
H7	0.042	1.235	-0.879
H8	0.042	1.235	0.879
H9	-1.366	-0.697	0.809
H10	-1.366	-0.697	-0.809

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4679	2.5354	3.4753	2.8144	2.8144	2.0825	2.0825	1.0168	1.0168
C2	1.4679		1.5336	2.1878	2.1767	2.1767	1.0971	1.0971	2.0379	2.0379
C3	2.5354	1.5336		1.0974	1.0975	1.0975	2.1649	2.1649	2.7222	2.7222
H4	3.4753	2.1878	1.0974		1.7773	1.7773	2.5118	2.5118	3.7223	3.7223
H5	2.8144	2.1767	1.0975	1.7773		1.7747	3.0791	2.5218	2.5834	3.0896
H6	2.8144	2.1767	1.0975	1.7773	1.7747		2.5218	3.0791	3.0896	2.5834
H7	2.0825	1.0971	2.1649	2.5118	3.0791	2.5218		1.7586	2.9267	2.3916
H8	2.0825	1.0971	2.1649	2.5118	2.5218	3.0791	1.7586		2.3916	2.9267
H9	1.0168	2.0379	2.7222	3.7223	2.5834	3.0896	2.9267	2.3916		1.6182
H10	1.0168	2.0379	2.7222	3.7223	3.0896	2.5834	2.3916	2.9267	1.6182

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: QCISD/6-311G**

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	115.261	N1	C2	H7	107.683
N1	C2	H8	107.683	C2	N1	H9	108.840
C2	N1	H10	108.840	C2	C3	H4	111.438
C2	C3	H5	110.553	C2	C3	H6	110.553
C3	C2	H7	109.650	C3	C2	H8	109.650
H4	C3	H5	108.137	H4	C3	H6	108.137
H5	C3	H6	107.902	H7	C2	H8	106.542
H9	N1	H10	105.442

	hartrees
Energy at 0K	-134.826432
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

using model chemistry: QCISD/6-311G**

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)