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	hartrees
Energy at 0K	-95.212455
Energy at 298.15K
HF Energy	-95.212455
Nuclear repulsion energy	41.736153

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'	3463	3336	1.02	103.30	0.12	0.22
2	A'	3090	2977	36.19	84.55	0.22	0.36
3	A'	2958	2850	110.36	127.90	0.23	0.38
4	A'	1733	1670	18.36	12.70	0.66	0.79
5	A'	1567	1509	13.29	30.28	0.70	0.82
6	A'	1503	1448	1.16	12.62	0.61	0.76
7	A'	1172	1129	6.96	7.10	0.50	0.67
8	A'	1071	1031	3.47	7.17	0.46	0.63
9	A'	688	663	253.05	7.72	0.36	0.53
10	A"	3564	3433	0.04	60.78	0.75	0.86
11	A"	3135	3020	29.12	67.75	0.75	0.86
12	A"	1591	1533	3.01	27.63	0.75	0.86
13	A"	1367	1317	0.74	5.01	0.75	0.86
14	A"	996	959	0.62	1.11	0.75	0.86
15	A"	328	316	57.30	4.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.711	0.000
N2	0.043	-0.758	0.000
H3	-0.949	1.201	0.000
H4	0.589	1.066	0.881
H5	0.589	1.066	-0.881
H6	-0.394	-1.147	-0.836
H7	-0.394	-1.147	0.836

	C1	N2	H3	H4	H5	H6	H7
C1		1.4697	1.1062	1.0952	1.0952	2.0844	2.0844
N2	1.4697		2.1960	2.0981	2.0981	1.0204	1.0204
H3	1.1062	2.1960		1.7772	1.7772	2.5535	2.5535
H4	1.0952	2.0981	1.7772		1.7620	2.9686	2.4223
H5	1.0952	2.0981	1.7772	1.7620		2.4223	2.9686
H6	2.0844	1.0204	2.5535	2.9686	2.4223		1.6715
H7	2.0844	1.0204	2.5535	2.4223	2.9686	1.6715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.417	C1	N2	H7	112.417
N2	C1	H3	116.258	N2	C1	H4	108.896
N2	C1	H5	108.896	H3	C1	H4	107.659
H3	C1	H5	107.659	H4	C1	H5	107.109
H6	N2	H7	109.977

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

using model chemistry: HSEh1PBE/3-21G

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	-0.475
2	N	-0.701
3	H	0.173
4	H	0.221
5	H	0.221
6	H	0.280
7	H	0.280

	x	y	z	Total
	-1.409	0.254	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	2.090	0.125	0.000
y	0.125	2.875	0.000
z	0.000	0.000	2.657

<r²>	26.714
(<r²>)^1/2	5.169

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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