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	hartrees
Energy at 0K	-18.531242
Energy at 298.15K
HF Energy	-18.531242
Nuclear repulsion energy	26.247830

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'	3503	3413	2.80	122.58	0.14	0.24
2	A'	3029	2952	63.53	109.01	0.28	0.44
3	A'	2909	2835	150.57	179.91	0.17	0.28
4	A'	1699	1656	31.70	7.10	0.73	0.85
5	A'	1514	1476	10.90	24.84	0.66	0.79
6	A'	1474	1437	3.58	9.64	0.67	0.80
7	A'	1143	1113	8.98	9.06	0.51	0.67
8	A'	1072	1045	16.66	9.95	0.34	0.51
9	A'	611	596	310.80	4.18	0.38	0.55
10	A"	3630	3537	0.42	64.06	0.75	0.86
11	A"	3078	2999	55.21	82.36	0.75	0.86
12	A"	1536	1497	4.41	20.83	0.75	0.86
13	A"	1324	1290	0.10	4.10	0.75	0.86
14	A"	960	936	1.31	0.36	0.75	0.86
15	A"	271	264	46.36	2.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	0.720	0.000
N2	0.037	-0.758	0.000
H3	-0.967	1.189	0.000
H4	0.578	1.084	0.883
H5	0.578	1.084	-0.883
H6	-0.333	-1.186	-0.843
H7	-0.333	-1.186	0.843

	C1	N2	H3	H4	H5	H6	H7
C1		1.4787	1.1076	1.0975	1.0975	2.1177	2.1177
N2	1.4787		2.1907	2.1133	2.1133	1.0156	1.0156
H3	1.1076	2.1907		1.7827	1.7827	2.5993	2.5993
H4	1.0975	2.1133	1.7827		1.7651	2.9941	2.4470
H5	1.0975	2.1133	1.7827	1.7651		2.4470	2.9941
H6	2.1177	1.0156	2.5993	2.9941	2.4470		1.6866
H7	2.1177	1.0156	2.5993	2.4470	2.9941	1.6866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	114.945	C1	N2	H7	114.945
N2	C1	H3	115.027	N2	C1	H4	109.345
N2	C1	H5	109.345	H3	C1	H4	107.882
H3	C1	H5	107.882	H4	C1	H5	107.062
H6	N2	H7	112.271

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

using model chemistry: B3LYP/CEP-121G

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	-0.391
2	N	-0.577
3	H	0.125
4	H	0.156
5	H	0.156
6	H	0.265
7	H	0.265

	x	y	z	Total
	-1.296	0.187	0.000	1.309
CHELPG
AIM
ESP

	x	y	z
x	2.725	0.057	0.000
y	0.057	3.334	0.000
z	0.000	0.000	3.115

<r²>	25.017
(<r²>)^1/2	5.002

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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