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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	-134.792499
Energy at 298.15K	-134.800715
HF Energy	-134.266720
Nuclear repulsion energy	82.937972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3602	3355	0.79
2	A'	3204	2985	42.83
3	A'	3143	2928	33.19
4	A'	3117	2904	23.74
5	A'	1719	1602	32.95
6	A'	1559	1453	2.19
7	A'	1543	1437	0.40
8	A'	1470	1370	12.06
9	A'	1431	1333	14.54
10	A'	1187	1106	9.10
11	A'	1120	1043	28.98
12	A'	924	861	25.10
13	A'	889	828	156.67
14	A'	412	384	9.01
15	A"	3695	3443	0.82
16	A"	3209	2990	64.46
17	A"	3183	2965	2.23
18	A"	1549	1443	7.53
19	A"	1425	1327	0.08
20	A"	1314	1224	0.10
21	A"	1031	960	1.22
22	A"	796	742	0.12
23	A"	298	277	33.31
24	A"	258	240	25.65

Atom	x (Å)	y (Å)	z (Å)
N1	-1.304	-0.097	0.000
C2	0.000	0.572	0.000
C3	1.214	-0.346	0.000
H4	2.145	0.223	0.000
H5	1.216	-0.988	0.880
H6	1.216	-0.988	-0.880
H7	0.030	1.225	-0.871
H8	0.030	1.225	0.871
H9	-1.397	-0.687	0.816
H10	-1.397	-0.687	-0.816

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4660	2.5310	3.4639	2.8140	2.8140	2.0703	2.0703	1.0113	1.0113
C2	1.4660		1.5227	2.1732	2.1652	2.1652	1.0887	1.0887	2.0501	2.0501
C3	2.5310	1.5227		1.0906	1.0895	1.0895	2.1517	2.1517	2.7571	2.7571
H4	3.4639	2.1732	1.0906		1.7621	1.7621	2.4972	2.4972	3.7467	3.7467
H5	2.8140	2.1652	1.0895	1.7621		1.7600	3.0611	2.5109	2.6306	3.1294
H6	2.8140	2.1652	1.0895	1.7621	1.7600		2.5109	3.0611	3.1294	2.6306
H7	2.0703	1.0887	2.1517	2.4972	3.0611	2.5109		1.7422	2.9218	2.3860
H8	2.0703	1.0887	2.1517	2.4972	2.5109	3.0611	1.7422		2.3860	2.9218
H9	1.0113	2.0501	2.7571	3.7467	2.6306	3.1294	2.9218	2.3860		1.6325
H10	1.0113	2.0501	2.7571	3.7467	3.1294	2.6306	2.3860	2.9218	1.6325

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: MP3=FULL/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	115.730	N1	C2	H7	107.342
N1	C2	H8	107.342	C2	N1	H9	110.352
C2	N1	H10	110.352	C2	C3	H4	111.459
C2	C3	H5	110.885	C2	C3	H6	110.885
C3	C2	H7	109.850	C3	C2	H8	109.850
H4	C3	H5	107.856	H4	C3	H6	107.856
H5	C3	H6	107.745	H7	C2	H8	106.278
H9	N1	H10	107.638

	hartrees
Energy at 0K	-134.792776
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

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

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)