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	hartrees
Energy at 0K	-95.390531
Energy at 298.15K	-95.396092
HF Energy	-95.390531
Nuclear repulsion energy	42.108374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3442	3409	0.68
2	A'	2996	2968	21.48
3	A'	2895	2868	89.40
4	A'	1585	1570	22.95
5	A'	1423	1409	8.10
6	A'	1385	1372	1.06
7	A'	1125	1114	7.74
8	A'	1086	1076	10.84
9	A'	762	755	158.54
10	A"	3524	3491	7.00
11	A"	3038	3010	15.69
12	A"	1443	1430	6.63
13	A"	1284	1272	0.39
14	A"	936	927	0.59
15	A"	293	290	32.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	0.695	0.000
N2	0.047	-0.747	0.000
H3	-0.949	1.178	0.000
H4	0.593	1.063	0.881
H5	0.593	1.063	-0.881
H6	-0.426	-1.124	-0.821
H7	-0.426	-1.124	0.821

	C1	N2	H3	H4	H5	H6	H7
C1		1.4423	1.1076	1.0995	1.0995	2.0513	2.0513
N2	1.4423		2.1680	2.0859	2.0859	1.0200	1.0200
H3	1.1076	2.1680		1.7801	1.7801	2.4997	2.4997
H4	1.0995	2.0859	1.7801		1.7611	2.9528	2.4138
H5	1.0995	2.0859	1.7801	1.7611		2.4138	2.9528
H6	2.0513	1.0200	2.4997	2.9528	2.4138		1.6423
H7	2.0513	1.0200	2.4997	2.4138	2.9528	1.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.686	C1	N2	H7	111.686
N2	C1	H3	115.854	N2	C1	H4	109.559
N2	C1	H5	109.559	H3	C1	H4	107.509
H3	C1	H5	107.509	H4	C1	H5	106.423
H6	N2	H7	107.239

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

using model chemistry: LSDA/aug-cc-pVTZ

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	-0.490
2	N	-0.362
3	H	0.207
4	H	0.239
5	H	0.239
6	H	0.084
7	H	0.084

	x	y	z	Total
	-1.203	0.255	0.000	1.230
CHELPG
AIM
ESP

	x	y	z
x	3.961	-0.051	0.000
y	-0.051	4.532	0.000
z	0.000	0.000	3.793

<r²>	26.790
(<r²>)^1/2	5.176

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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