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	hartrees
Energy at 0K	-95.815589
Energy at 298.15K
HF Energy	-95.815589
Nuclear repulsion energy	41.696011

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	3.90	136.16	0.08	0.15
2	A'	3014	3014	38.72	115.72	0.29	0.45
3	A'	2911	2911	108.72	184.13	0.13	0.23
4	A'	1619	1619	16.41	3.12	0.69	0.81
5	A'	1444	1444	6.52	5.66	0.66	0.79
6	A'	1407	1407	2.81	0.96	0.43	0.60
7	A'	1139	1139	5.10	0.26	0.14	0.25
8	A'	1033	1033	10.51	9.14	0.12	0.22
9	A'	819	819	129.86	1.59	0.32	0.49
10	A"	3501	3501	0.03	55.12	0.75	0.86
11	A"	3056	3056	35.35	62.75	0.75	0.86
12	A"	1465	1465	3.66	6.39	0.75	0.86
13	A"	1314	1314	0.14	0.37	0.75	0.86
14	A"	956	956	0.03	0.23	0.75	0.86
15	A"	306	306	30.82	0.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.709	0.000
N2	0.051	-0.763	0.000
H3	-0.952	1.184	0.000
H4	0.598	1.068	0.888
H5	0.598	1.068	-0.888
H6	-0.456	-1.114	-0.814
H7	-0.456	-1.114	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4721	1.1105	1.1024	1.1024	2.0597	2.0597
N2	1.4721		2.1909	2.1069	2.1069	1.0213	1.0213
H3	1.1105	2.1909		1.7896	1.7896	2.4882	2.4882
H4	1.1024	2.1069	1.7896		1.7755	2.9607	2.4238
H5	1.1024	2.1069	1.7896	1.7755		2.4238	2.9607
H6	2.0597	1.0213	2.4882	2.9607	2.4238		1.6283
H7	2.0597	1.0213	2.4882	2.4238	2.9607	1.6283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.081	C1	N2	H7	110.081
N2	C1	H3	115.356	N2	C1	H4	109.008
N2	C1	H5	109.008	H3	C1	H4	107.950
H3	C1	H5	107.950	H4	C1	H5	107.280
H6	N2	H7	105.724

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

using model chemistry: B97D3/aug-cc-pVDZ

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	0.974
2	N	-0.140
3	H	-0.217
4	H	-0.252
5	H	-0.252
6	H	-0.056
7	H	-0.056

	x	y	z	Total
	-1.242	0.369	0.000	1.296
CHELPG
AIM
ESP

	x	y	z
x	3.906	-0.046	0.000
y	-0.046	4.473	0.000
z	0.000	0.000	3.738

<r²>	27.144
(<r²>)^1/2	5.210

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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