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	hartrees
Energy at 0K	-95.839137
Energy at 298.15K
HF Energy	-95.839137
Nuclear repulsion energy	42.077422

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'	3551	3360	0.37	102.90	0.11	0.19
2	A'	3109	2942	30.04	91.15	0.30	0.46
3	A'	3021	2858	73.39	142.30	0.11	0.20
4	A'	1670	1580	31.61	6.71	0.74	0.85
5	A'	1507	1426	7.19	15.82	0.66	0.80
6	A'	1467	1388	2.45	4.45	0.68	0.81
7	A'	1176	1113	7.83	2.63	0.59	0.74
8	A'	1088	1030	14.08	9.63	0.28	0.44
9	A'	833	788	183.26	2.14	0.74	0.85
10	A"	3636	3441	3.14	54.73	0.75	0.86
11	A"	3145	2976	25.85	64.12	0.75	0.86
12	A"	1529	1446	4.31	15.00	0.75	0.86
13	A"	1349	1276	0.03	2.50	0.75	0.86
14	A"	979	927	0.04	0.02	0.75	0.86
15	A"	311	294	41.91	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.704	0.000
N2	0.048	-0.755	0.000
H3	-0.945	1.169	0.000
H4	0.589	1.061	0.877
H5	0.589	1.061	-0.877
H6	-0.431	-1.116	-0.815
H7	-0.431	-1.116	0.815

	C1	N2	H3	H4	H5	H6	H7
C1		1.4593	1.0969	1.0900	1.0900	2.0514	2.0514
N2	1.4593		2.1657	2.0880	2.0880	1.0118	1.0118
H3	1.0969	2.1657		1.7699	1.7699	2.4807	2.4807
H4	1.0900	2.0880	1.7699		1.7536	2.9398	2.4052
H5	1.0900	2.0880	1.7699	1.7536		2.4052	2.9398
H6	2.0514	1.0118	2.4807	2.9398	2.4052		1.6294
H7	2.0514	1.0118	2.4807	2.4052	2.9398	1.6294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.927	C1	N2	H7	110.927
N2	C1	H3	115.094	N2	C1	H4	109.118
N2	C1	H5	109.118	H3	C1	H4	108.057
H3	C1	H5	108.057	H4	C1	H5	107.106
H6	N2	H7	107.257

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

using model chemistry: M06-2X/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	-0.293
2	N	-0.522
3	H	0.110
4	H	0.133
5	H	0.133
6	H	0.219
7	H	0.219

	x	y	z	Total
	-1.392	0.414	0.000	1.452
CHELPG
AIM
ESP

	x	y	z
x	2.975	0.060	0.000
y	0.060	3.438	0.000
z	0.000	0.000	3.152

<r²>	26.693
(<r²>)^1/2	5.167

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

using model chemistry: M06-2X/TZVP

States and conformations

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