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	hartrees
Energy at 0K	-95.836611
Energy at 298.15K
HF Energy	-95.836611
Nuclear repulsion energy	42.213525

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'	3553	3553	0.50	107.80	0.08	0.15
2	A'	3088	3088	31.54	99.46	0.30	0.46
3	A'	2997	2997	86.76	149.95	0.12	0.21
4	A'	1662	1662	23.66	2.40	0.74	0.85
5	A'	1501	1501	6.94	5.61	0.71	0.83
6	A'	1458	1458	1.63	0.73	0.53	0.69
7	A'	1170	1170	5.72	0.22	0.30	0.46
8	A'	1087	1087	14.11	7.94	0.14	0.25
9	A'	820	820	149.11	1.29	0.57	0.72
10	A"	3633	3633	3.20	49.15	0.75	0.86
11	A"	3126	3126	27.41	58.07	0.75	0.86
12	A"	1520	1520	5.02	6.57	0.75	0.86
13	A"	1343	1343	0.09	0.65	0.75	0.86
14	A"	971	971	0.10	0.13	0.75	0.86
15	A"	297	297	32.63	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.701	0.000
N2	0.049	-0.752	0.000
H3	-0.942	1.166	0.000
H4	0.586	1.060	0.875
H5	0.586	1.060	-0.875
H6	-0.433	-1.112	-0.810
H7	-0.433	-1.112	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4529	1.0950	1.0880	1.0880	2.0435	2.0435
N2	1.4529		2.1593	2.0831	2.0831	1.0091	1.0091
H3	1.0950	2.1593		1.7645	1.7645	2.4715	2.4715
H4	1.0880	2.0831	1.7645		1.7499	2.9324	2.4006
H5	1.0880	2.0831	1.7645	1.7499		2.4006	2.9324
H6	2.0435	1.0091	2.4715	2.9324	2.4006		1.6207
H7	2.0435	1.0091	2.4715	2.4006	2.9324	1.6207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.910	C1	N2	H7	110.910
N2	C1	H3	115.160	N2	C1	H4	109.295
N2	C1	H5	109.295	H3	C1	H4	107.860
H3	C1	H5	107.860	H4	C1	H5	107.065
H6	N2	H7	106.839

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

using model chemistry: B1B95/6-311+G(3df,2p)

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	0.002
2	N	-0.796
3	H	0.126
4	H	0.135
5	H	0.135
6	H	0.199
7	H	0.199

	x	y	z	Total
	-1.253	0.338	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	3.493	-0.030	0.000
y	-0.030	4.039	0.000
z	0.000	0.000	3.423

<r²>	26.577
(<r²>)^1/2	5.155

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

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

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