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	hartrees
Energy at 0K	-95.762589
Energy at 298.15K
HF Energy	-95.762589
Nuclear repulsion energy	42.104445

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'	3532	3390	2.68	103.97	0.13	0.22
2	A'	3084	2959	44.62	96.52	0.28	0.43
3	A'	2976	2856	108.43	143.65	0.18	0.31
4	A'	1729	1660	33.74	7.18	0.74	0.85
5	A'	1515	1454	8.84	17.45	0.67	0.80
6	A'	1472	1413	2.07	6.02	0.67	0.80
7	A'	1188	1140	8.42	2.70	0.47	0.64
8	A'	1093	1049	11.08	7.75	0.31	0.47
9	A'	874	839	183.00	3.02	0.69	0.82
10	A"	3612	3466	0.32	65.04	0.75	0.86
11	A"	3124	2998	39.69	75.93	0.75	0.86
12	A"	1537	1475	4.49	17.04	0.75	0.86
13	A"	1373	1318	0.27	2.30	0.75	0.86
14	A"	990	950	0.06	0.26	0.75	0.86
15	A"	332	318	45.77	1.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.699	0.000
N2	0.050	-0.756	0.000
H3	-0.943	1.177	0.000
H4	0.593	1.061	0.877
H5	0.593	1.061	-0.877
H6	-0.447	-1.103	-0.811
H7	-0.447	-1.103	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4550	1.1018	1.0931	1.0931	2.0378	2.0378
N2	1.4550		2.1726	2.0893	2.0893	1.0127	1.0127
H3	1.1018	2.1726		1.7721	1.7721	2.4698	2.4698
H4	1.0931	2.0893	1.7721		1.7543	2.9351	2.4019
H5	1.0931	2.0893	1.7721	1.7543		2.4019	2.9351
H6	2.0378	1.0127	2.4698	2.9351	2.4019		1.6220
H7	2.0378	1.0127	2.4698	2.4019	2.9351	1.6220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.047	C1	N2	H7	110.047
N2	C1	H3	115.683	N2	C1	H4	109.343
N2	C1	H5	109.343	H3	C1	H4	107.682
H3	C1	H5	107.682	H4	C1	H5	106.735
H6	N2	H7	106.418

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.520
2	N	-0.762
3	H	0.193
4	H	0.224
5	H	0.224
6	H	0.320
7	H	0.320

	x	y	z	Total
	-1.440	0.327	0.000	1.476
CHELPG
AIM
ESP

	x	y	z
x	2.690	0.115	0.000
y	0.115	3.245	0.000
z	0.000	0.000	2.992

<r²>	26.539
(<r²>)^1/2	5.152

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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