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	hartrees
Energy at 0K	-95.783877
Energy at 298.15K
HF Energy	-95.783877
Nuclear repulsion energy	42.143888

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'	3533	3396	0.24	111.18	0.10	0.18
2	A'	3076	2956	35.69	100.94	0.26	0.41
3	A'	2982	2866	90.09	154.07	0.13	0.23
4	A'	1664	1599	20.89	5.25	0.66	0.80
5	A'	1493	1435	6.79	11.40	0.65	0.78
6	A'	1453	1396	1.30	2.97	0.51	0.67
7	A'	1174	1128	6.48	1.61	0.43	0.60
8	A'	1085	1043	11.64	7.71	0.25	0.40
9	A'	843	810	155.93	2.11	0.66	0.80
10	A"	3614	3473	0.79	56.86	0.75	0.86
11	A"	3113	2992	29.62	66.80	0.75	0.86
12	A"	1514	1455	4.02	10.54	0.75	0.86
13	A"	1350	1298	0.13	1.02	0.75	0.86
14	A"	975	937	0.15	0.07	0.75	0.86
15	A"	303	291	34.68	0.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.700	0.000
N2	0.050	-0.755	0.000
H3	-0.942	1.173	0.000
H4	0.590	1.062	0.876
H5	0.590	1.062	-0.876
H6	-0.444	-1.106	-0.809
H7	-0.444	-1.106	0.809

	C1	N2	H3	H4	H5	H6	H7
C1		1.4544	1.0989	1.0915	1.0915	2.0394	2.0394
N2	1.4544		2.1677	2.0882	2.0882	1.0111	1.0111
H3	1.0989	2.1677		1.7684	1.7684	2.4690	2.4690
H4	1.0915	2.0882	1.7684		1.7529	2.9345	2.4029
H5	1.0915	2.0882	1.7684	1.7529		2.4029	2.9345
H6	2.0394	1.0111	2.4690	2.9345	2.4029		1.6186
H7	2.0394	1.0111	2.4690	2.4029	2.9345	1.6186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.329	C1	N2	H7	110.329
N2	C1	H3	115.505	N2	C1	H4	109.393
N2	C1	H5	109.393	H3	C1	H4	107.678
H3	C1	H5	107.678	H4	C1	H5	106.840
H6	N2	H7	106.345

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

using model chemistry: HSEh1PBE/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	-0.185
2	N	-0.321
3	H	0.059
4	H	0.093
5	H	0.093
6	H	0.130
7	H	0.130

	x	y	z	Total
	-1.246	0.280	0.000	1.277
CHELPG
AIM
ESP

	x	y	z
x	3.100	0.092	0.000
y	0.092	3.700	0.000
z	0.000	0.000	3.291

<r²>	26.518
(<r²>)^1/2	5.150

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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