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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	-134.848136
Energy at 298.15K	-134.856342
HF Energy	-134.269397
Nuclear repulsion energy	82.793949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3535	3349	0.15
2	A'	3153	2987	33.73
3	A'	3092	2929	29.45
4	A'	3072	2910	17.49
5	A'	1698	1609	20.84
6	A'	1540	1459	1.30
7	A'	1522	1442	0.06
8	A'	1440	1365	7.60
9	A'	1406	1332	12.67
10	A'	1184	1121	10.74
11	A'	1099	1042	26.07
12	A'	934	884	106.61
13	A'	896	848	47.78
14	A'	405	383	5.43
15	A"	3616	3426	0.06
16	A"	3156	2990	49.25
17	A"	3127	2963	3.40
18	A"	1527	1447	5.84
19	A"	1418	1343	0.00
20	A"	1295	1227	0.05
21	A"	1022	969	1.39
22	A"	785	744	0.75
23	A"	301	285	35.43
24	A"	257	244	12.77

Atom	x (Å)	y (Å)	z (Å)
N1	-1.308	-0.087	0.000
C2	0.000	0.576	0.000
C3	1.210	-0.355	0.000
H4	2.152	0.204	0.000
H5	1.208	-1.001	0.883
H6	1.208	-1.001	-0.883
H7	0.037	1.232	-0.874
H8	0.037	1.232	0.874
H9	-1.374	-0.690	0.810
H10	-1.374	-0.690	-0.810

	N1	C2	C3	H4	H5	H6	H7	H8	H9	H10
N1		1.4658	2.5323	3.4715	2.8185	2.8185	2.0763	2.0763	1.0123	1.0123
C2	1.4658		1.5270	2.1834	2.1738	2.1738	1.0940	1.0940	2.0363	2.0363
C3	2.5323	1.5270		1.0952	1.0941	1.0941	2.1591	2.1591	2.7293	2.7293
H4	3.4715	2.1834	1.0952		1.7677	1.7677	2.5087	2.5087	3.7268	3.7268
H5	2.8185	2.1738	1.0941	1.7677		1.7661	3.0738	2.5219	2.6019	3.1036
H6	2.8185	2.1738	1.0941	1.7677	1.7661		2.5219	3.0738	3.1036	2.6019
H7	2.0763	1.0940	2.1591	2.5087	3.0738	2.5219		1.7487	2.9193	2.3849
H8	2.0763	1.0940	2.1591	2.5087	2.5219	3.0738	1.7487		2.3849	2.9193
H9	1.0123	2.0363	2.7293	3.7268	2.6019	3.1036	2.9193	2.3849		1.6210
H10	1.0123	2.0363	2.7293	3.7268	3.1036	2.6019	2.3849	2.9193	1.6210

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)

using model chemistry: QCISD/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	115.570	N1	C2	H7	107.521
N1	C2	H8	107.521	C2	N1	H9	109.140
C2	N1	H10	109.140	C2	C3	H4	111.691
C2	C3	H5	110.985	C2	C3	H6	110.985
C3	C2	H7	109.831	C3	C2	H8	109.831
H4	C3	H5	107.691	H4	C3	H6	107.691
H5	C3	H6	107.617	H7	C2	H8	106.120
H9	N1	H10	106.377

	hartrees
Energy at 0K	-134.847838
Energy at 298.15K
Nuclear repulsion energy

All results from a given calculation for CH3CH2NH2 (Ethylamine)

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

States and conformations

Conformer 1 (CS trans)

Conformer 2 (C1 gauche)

All results from a given calculation for CH₃CH₂NH₂ (Ethylamine)