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	hartrees
Energy at 0K	-95.845532
Energy at 298.15K
HF Energy	-95.845532
Nuclear repulsion energy	42.094585

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'	3543	3386	0.72	118.42	0.07	0.13
2	A'	3104	2966	26.35	93.51	0.29	0.45
3	A'	3024	2890	67.84	155.91	0.08	0.14
4	A'	1658	1584	22.94	2.66	0.72	0.84
5	A'	1507	1441	6.35	4.91	0.70	0.82
6	A'	1459	1395	1.69	0.63	0.44	0.61
7	A'	1174	1122	6.53	0.26	0.18	0.30
8	A'	1086	1038	15.08	9.33	0.15	0.26
9	A'	832	795	142.39	0.96	0.34	0.50
10	A"	3622	3461	5.65	45.93	0.75	0.86
11	A"	3138	2999	22.64	52.75	0.75	0.86
12	A"	1526	1458	4.60	5.48	0.75	0.86
13	A"	1344	1284	0.05	0.55	0.75	0.86
14	A"	973	930	0.06	0.05	0.75	0.86
15	A"	298	285	31.67	0.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.705	0.000
N2	0.049	-0.755	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	2.0495	2.0495
N2	1.4601		2.1622	2.0882	2.0882	1.0111	1.0111
H3	1.0949	2.1622		1.7676	1.7676	2.4720	2.4720
H4	1.0889	2.0882	1.7676		1.7535	2.9378	2.4048
H5	1.0889	2.0882	1.7676	1.7535		2.4048	2.9378
H6	2.0495	1.0111	2.4720	2.9378	2.4048		1.6238
H7	2.0495	1.0111	2.4720	2.4048	2.9378	1.6238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.752	C1	N2	H7	110.752
N2	C1	H3	114.866	N2	C1	H4	109.152
N2	C1	H5	109.152	H3	C1	H4	108.077
H3	C1	H5	108.077	H4	C1	H5	107.251
H6	N2	H7	106.826

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

using model chemistry: M06-2X/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	-0.638
2	N	-0.531
3	H	0.250
4	H	0.307
5	H	0.307
6	H	0.153
7	H	0.153

	x	y	z	Total
	-1.260	0.381	0.000	1.317
CHELPG
AIM
ESP

	x	y	z
x	3.580	0.008	0.000
y	0.008	4.151	0.000
z	0.000	0.000	3.536

<r²>	26.727
(<r²>)^1/2	5.170

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

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

States and conformations

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