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	hartrees
Energy at 0K	-95.845644
Energy at 298.15K
HF Energy	-95.845644
Nuclear repulsion energy	42.095171

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'	3542	3542	0.73	119.31	0.07	0.13
2	A'	3103	3103	26.30	93.47	0.29	0.45
3	A'	3024	3024	67.78	156.92	0.08	0.14
4	A'	1657	1657	23.05	2.63	0.72	0.84
5	A'	1507	1507	6.34	5.03	0.70	0.82
6	A'	1459	1459	1.67	0.62	0.46	0.63
7	A'	1174	1174	6.58	0.31	0.14	0.24
8	A'	1086	1086	15.04	9.14	0.15	0.26
9	A'	832	832	142.45	1.08	0.30	0.46
10	A"	3621	3621	5.56	46.03	0.75	0.86
11	A"	3137	3137	22.72	52.77	0.75	0.86
12	A"	1525	1525	4.61	5.49	0.75	0.86
13	A"	1343	1343	0.05	0.51	0.75	0.86
14	A"	973	973	0.06	0.04	0.75	0.86
15	A"	298	298	31.69	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.705	0.000
N2	0.049	-0.756	0.000
H3	-0.944	1.165	0.000
H4	0.587	1.062	0.877
H5	0.587	1.062	-0.877
H6	-0.435	-1.114	-0.812
H7	-0.435	-1.114	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4601	1.0949	1.0889	1.0889	2.0494	2.0494
N2	1.4601		2.1622	2.0883	2.0883	1.0111	1.0111
H3	1.0949	2.1622		1.7675	1.7675	2.4718	2.4718
H4	1.0889	2.0883	1.7675		1.7535	2.9377	2.4048
H5	1.0889	2.0883	1.7675	1.7535		2.4048	2.9377
H6	2.0494	1.0111	2.4718	2.9377	2.4048		1.6238
H7	2.0494	1.0111	2.4718	2.4048	2.9377	1.6238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.745	C1	N2	H7	110.745
N2	C1	H3	114.866	N2	C1	H4	109.155
N2	C1	H5	109.155	H3	C1	H4	108.073
H3	C1	H5	108.073	H4	C1	H5	107.253
H6	N2	H7	106.828

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

using model chemistry: M06-2X/daug-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	-1.391
2	N	-0.845
3	H	0.506
4	H	0.648
5	H	0.648
6	H	0.217
7	H	0.217

	x	y	z	Total
	-1.260	0.382	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	3.592	0.006	0.000
y	0.006	4.161	0.000
z	0.000	0.000	3.543

<r²>	26.725
(<r²>)^1/2	5.170

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

using model chemistry: M06-2X/daug-cc-pVTZ

States and conformations

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