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	hartrees
Energy at 0K	-95.806240
Energy at 298.15K
HF Energy	-95.806240
Nuclear repulsion energy	41.788665

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'	3417	3417	2.38	102.35	0.11	0.19
2	A'	3009	3009	43.19	89.32	0.26	0.42
3	A'	2901	2901	101.98	125.39	0.18	0.31
4	A'	1641	1641	15.35	8.55	0.67	0.80
5	A'	1469	1469	6.70	19.04	0.69	0.81
6	A'	1431	1431	3.08	6.21	0.60	0.75
7	A'	1164	1164	7.47	3.23	0.51	0.67
8	A'	1036	1036	4.59	8.40	0.32	0.49
9	A'	852	852	138.66	3.73	0.66	0.80
10	A"	3499	3499	0.36	59.77	0.75	0.86
11	A"	3051	3051	35.97	67.88	0.75	0.86
12	A"	1491	1491	1.70	18.49	0.75	0.86
13	A"	1337	1337	0.09	2.91	0.75	0.86
14	A"	968	968	0.01	0.32	0.75	0.86
15	A"	318	318	33.77	1.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	0.705	0.000
N2	0.053	-0.766	0.000
H3	-0.944	1.188	0.000
H4	0.597	1.065	0.885
H5	0.597	1.065	-0.885
H6	-0.473	-1.095	-0.809
H7	-0.473	-1.095	0.809

	C1	N2	H3	H4	H5	H6	H7
C1		1.4708	1.1076	1.0989	1.0989	2.0425	2.0425
N2	1.4708		2.1930	2.1045	2.1045	1.0196	1.0196
H3	1.1076	2.1930		1.7806	1.7806	2.4671	2.4671
H4	1.0989	2.1045	1.7806		1.7696	2.9458	2.4115
H5	1.0989	2.1045	1.7806	1.7696		2.4115	2.9458
H6	2.0425	1.0196	2.4671	2.9458	2.4115		1.6177
H7	2.0425	1.0196	2.4671	2.4115	2.9458	1.6177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.853	C1	N2	H7	108.853
N2	C1	H3	115.821	N2	C1	H4	109.112
N2	C1	H5	109.112	H3	C1	H4	107.606
H3	C1	H5	107.606	H4	C1	H5	107.255
H6	N2	H7	104.993

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

using model chemistry: B97D3/6-31G(2df,p)

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	-0.302
2	N	-0.498
3	H	0.096
4	H	0.125
5	H	0.125
6	H	0.227
7	H	0.227

	x	y	z	Total
	-1.247	0.283	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	2.767	0.139	0.000
y	0.139	3.405	0.000
z	0.000	0.000	3.067

<r²>	26.656
(<r²>)^1/2	5.163

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

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

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