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	hartrees
Energy at 0K	-18.524116
Energy at 298.15K
HF Energy	-18.524116
Nuclear repulsion energy	26.143059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3556	3443	0.86	107.23	0.14	0.24
2	A'	3072	2975	76.50	106.10	0.24	0.39
3	A'	2950	2857	166.47	168.19	0.14	0.25
4	A'	1678	1625	31.51	9.48	0.69	0.81
5	A'	1506	1458	10.27	24.73	0.72	0.84
6	A'	1470	1423	2.80	8.97	0.73	0.84
7	A'	1138	1102	10.28	9.22	0.57	0.73
8	A'	1078	1044	16.83	14.20	0.38	0.55
9	A'	554	536	359.30	5.20	0.13	0.22
10	A"	3686	3569	0.07	54.50	0.75	0.86
11	A"	3119	3021	69.06	80.45	0.75	0.86
12	A"	1525	1477	5.24	22.42	0.75	0.86
13	A"	1308	1267	0.01	6.87	0.75	0.86
14	A"	946	916	1.87	0.93	0.75	0.86
15	A"	267	259	49.67	3.66	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.034	0.723	0.000
N2	0.034	-0.758	0.000
H3	-0.975	1.195	0.000
H4	0.579	1.087	0.889
H5	0.579	1.087	-0.889
H6	-0.315	-1.200	-0.850
H7	-0.315	-1.200	0.850

	C1	N2	H3	H4	H5	H6	H7
C1		1.4807	1.1146	1.1042	1.1042	2.1311	2.1311
N2	1.4807		2.1984	2.1189	2.1189	1.0196	1.0196
H3	1.1146	2.1984		1.7938	1.7938	2.6257	2.6257
H4	1.1042	2.1189	1.7938		1.7773	3.0086	2.4559
H5	1.1042	2.1189	1.7938	1.7773		2.4559	3.0086
H6	2.1311	1.0196	2.6257	3.0086	2.4559		1.6995
H7	2.1311	1.0196	2.6257	2.4559	3.0086	1.6995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	115.701	C1	N2	H7	115.701
N2	C1	H3	115.065	N2	C1	H4	109.251
N2	C1	H5	109.251	H3	C1	H4	107.898
H3	C1	H5	107.898	H4	C1	H5	107.190
H6	N2	H7	112.891

All results from a given calculation for CH₃NH₂ (methyl amine)

using model chemistry: B3LYP/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.476
2	N	-0.500
3	H	0.143
4	H	0.173
5	H	0.173
6	H	0.244
7	H	0.244

	x	y	z	Total
	-1.350	0.236	0.000	1.370
CHELPG
AIM
ESP

	x	y	z
x	2.128	0.046	0.000
y	0.046	3.022	0.000
z	0.000	0.000	2.758

<r²>	24.944
(<r²>)^1/2	4.994

All results from a given calculation for CH3NH2 (methyl amine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₃NH₂ (methyl amine)