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	hartrees
Energy at 0K	-95.188950
Energy at 298.15K
HF Energy	-95.188950
Nuclear repulsion energy	41.342276

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'	3299	3269	5.72	112.24	0.11	0.21
2	A'	2997	2970	35.79	90.12	0.19	0.31
3	A'	2840	2814	133.24	142.76	0.27	0.42
4	A'	1681	1665	13.49	15.52	0.63	0.78
5	A'	1519	1505	13.96	32.84	0.68	0.81
6	A'	1456	1443	1.50	13.98	0.60	0.75
7	A'	1137	1127	5.50	7.75	0.45	0.62
8	A'	1031	1021	3.66	8.10	0.50	0.67
9	A'	688	681	212.66	8.70	0.40	0.57
10	A"	3399	3368	3.19	63.54	0.75	0.86
11	A"	3042	3015	30.52	69.19	0.75	0.86
12	A"	1545	1531	2.46	29.17	0.75	0.86
13	A"	1335	1322	1.38	5.57	0.75	0.86
14	A"	972	963	0.25	1.21	0.75	0.86
15	A"	335	332	56.45	4.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.047	0.715	0.000
N2	0.047	-0.769	0.000
H3	-0.949	1.223	0.000
H4	0.600	1.069	0.888
H5	0.600	1.069	-0.888
H6	-0.434	-1.136	-0.839
H7	-0.434	-1.136	0.839

	C1	N2	H3	H4	H5	H6	H7
C1		1.4842	1.1178	1.1042	1.1042	2.0890	2.0890
N2	1.4842		2.2269	2.1145	2.1145	1.0343	1.0343
H3	1.1178	2.2269		1.7917	1.7917	2.5563	2.5563
H4	1.1042	2.1145	1.7917		1.7768	2.9856	2.4360
H5	1.1042	2.1145	1.7917	1.7768		2.4360	2.9856
H6	2.0890	1.0343	2.5563	2.9856	2.4360		1.6770
H7	2.0890	1.0343	2.5563	2.4360	2.9856	1.6770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.821	C1	N2	H7	110.821
N2	C1	H3	117.002	N2	C1	H4	108.668
N2	C1	H5	108.668	H3	C1	H4	107.480
H3	C1	H5	107.480	H4	C1	H5	107.135
H6	N2	H7	108.326

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

using model chemistry: PBEPBE/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	-0.473
2	N	-0.642
3	H	0.162
4	H	0.213
5	H	0.213
6	H	0.264
7	H	0.264

	x	y	z	Total
	-1.443	0.261	0.000	1.466
CHELPG
AIM
ESP

	x	y	z
x	2.200	0.122	0.000
y	0.122	3.051	0.000
z	0.000	0.000	2.749

<r²>	27.084
(<r²>)^1/2	5.204

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

using model chemistry: PBEPBE/3-21G

States and conformations

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