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	hartrees
Energy at 0K	-95.843063
Energy at 298.15K
HF Energy	-95.843063
Nuclear repulsion energy	41.688427

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'	3567	3429	0.18	101.30	0.13	0.23
2	A'	3081	2961	60.10	87.64	0.24	0.39
3	A'	2961	2846	139.80	149.07	0.13	0.23
4	A'	1687	1622	34.06	8.38	0.68	0.81
5	A'	1519	1460	10.83	21.98	0.71	0.83
6	A'	1483	1426	4.25	7.93	0.73	0.85
7	A'	1150	1105	8.33	7.20	0.58	0.74
8	A'	1090	1048	14.97	10.50	0.36	0.52
9	A'	574	552	340.29	5.71	0.19	0.33
10	A"	3693	3550	1.19	50.72	0.75	0.86
11	A"	3130	3008	51.40	62.73	0.75	0.86
12	A"	1539	1479	7.14	19.20	0.75	0.86
13	A"	1319	1268	0.06	5.38	0.75	0.86
14	A"	959	922	3.48	0.68	0.75	0.86
15	A"	270	260	47.53	3.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	0.717	0.000
N2	0.035	-0.753	0.000
H3	-0.968	1.187	0.000
H4	0.575	1.082	0.882
H5	0.575	1.082	-0.882
H6	-0.316	-1.191	-0.846
H7	-0.316	-1.191	0.846

	C1	N2	H3	H4	H5	H6	H7
C1		1.4700	1.1074	1.0971	1.0971	2.1165	2.1165
N2	1.4700		2.1836	2.1069	2.1069	1.0148	1.0148
H3	1.1074	2.1836		1.7808	1.7808	2.6071	2.6071
H4	1.0971	2.1069	1.7808		1.7636	2.9913	2.4424
H5	1.0971	2.1069	1.7808	1.7636		2.4424	2.9913
H6	2.1165	1.0148	2.6071	2.9913	2.4424		1.6913
H7	2.1165	1.0148	2.6071	2.4424	2.9913	1.6913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	115.593	C1	N2	H7	115.593
N2	C1	H3	115.104	N2	C1	H4	109.459
N2	C1	H5	109.459	H3	C1	H4	107.763
H3	C1	H5	107.763	H4	C1	H5	106.978
H6	N2	H7	112.879

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

using model chemistry: B3LYP/LANL2DZ

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	-0.540
2	N	-0.601
3	H	0.179
4	H	0.210
5	H	0.210
6	H	0.271
7	H	0.271

	x	y	z	Total
	-1.306	0.205	0.000	1.322
CHELPG
AIM
ESP

	x	y	z
x	2.187	0.077	0.000
y	0.077	2.991	0.000
z	0.000	0.000	2.804

<r²>	26.898
(<r²>)^1/2	5.186

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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