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	hartrees
Energy at 0K	-95.897917
Energy at 298.15K
HF Energy	-95.897917
Nuclear repulsion energy	41.981924

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'	3502	3381	0.20	115.46	0.11	0.20
2	A'	3060	2954	37.12	107.79	0.24	0.38
3	A'	2961	2858	100.76	158.64	0.17	0.29
4	A'	1670	1613	26.96	7.08	0.73	0.84
5	A'	1498	1446	7.85	19.59	0.62	0.77
6	A'	1465	1414	2.56	5.15	0.65	0.79
7	A'	1166	1126	7.07	3.80	0.48	0.65
8	A'	1055	1018	10.45	8.84	0.32	0.48
9	A'	821	793	187.25	2.65	0.74	0.85
10	A"	3582	3458	0.30	62.57	0.75	0.86
11	A"	3096	2989	34.75	73.16	0.75	0.86
12	A"	1520	1467	3.87	16.53	0.75	0.86
13	A"	1347	1300	0.02	2.18	0.75	0.86
14	A"	977	943	0.03	0.02	0.75	0.86
15	A"	307	296	40.80	0.88	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.706	0.000
N2	0.048	-0.757	0.000
H3	-0.946	1.177	0.000
H4	0.589	1.066	0.878
H5	0.589	1.066	-0.878
H6	-0.429	-1.122	-0.816
H7	-0.429	-1.122	0.816

	C1	N2	H3	H4	H5	H6	H7
C1		1.4632	1.0997	1.0916	1.0916	2.0578	2.0578
N2	1.4632		2.1743	2.0942	2.0942	1.0128	1.0128
H3	1.0997	2.1743		1.7710	1.7710	2.4933	2.4933
H4	1.0916	2.0942	1.7710		1.7551	2.9476	2.4136
H5	1.0916	2.0942	1.7710	1.7551		2.4136	2.9476
H6	2.0578	1.0128	2.4933	2.9476	2.4136		1.6312
H7	2.0578	1.0128	2.4933	2.4136	2.9476	1.6312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.116	C1	N2	H7	111.116
N2	C1	H3	115.337	N2	C1	H4	109.247
N2	C1	H5	109.247	H3	C1	H4	107.838
H3	C1	H5	107.838	H4	C1	H5	107.013
H6	N2	H7	107.282

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

using model chemistry: B3LYP/TZVP

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	-0.274
2	N	-0.458
3	H	0.096
4	H	0.122
5	H	0.122
6	H	0.196
7	H	0.196

	x	y	z	Total
	-1.358	0.362	0.000	1.405
CHELPG
AIM
ESP

	x	y	z
x	3.045	0.055	0.000
y	0.055	3.551	0.000
z	0.000	0.000	3.232

<r²>	26.839
(<r²>)^1/2	5.181

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

using model chemistry: B3LYP/TZVP

States and conformations

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