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	hartrees
Energy at 0K	-95.858027
Energy at 298.15K
HF Energy	-95.858027
Nuclear repulsion energy	41.796883

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'	3455	3351	2.17	118.11	0.11	0.20
2	A'	3051	2959	42.07	107.96	0.25	0.40
3	A'	2942	2854	103.65	152.72	0.19	0.32
4	A'	1652	1602	13.98	8.19	0.68	0.81
5	A'	1471	1426	8.99	19.41	0.66	0.79
6	A'	1441	1398	3.66	6.09	0.63	0.77
7	A'	1169	1134	6.55	3.08	0.42	0.59
8	A'	1069	1037	9.62	8.32	0.32	0.49
9	A'	870	844	136.83	4.15	0.69	0.81
10	A"	3526	3420	0.46	72.01	0.75	0.86
11	A"	3091	2998	34.14	82.05	0.75	0.86
12	A"	1492	1447	2.08	18.81	0.75	0.86
13	A"	1348	1307	0.34	1.89	0.75	0.86
14	A"	978	949	0.00	0.37	0.75	0.86
15	A"	327	318	35.30	1.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	0.702	0.000
N2	0.053	-0.762	0.000
H3	-0.945	1.191	0.000
H4	0.599	1.068	0.885
H5	0.599	1.068	-0.885
H6	-0.471	-1.101	-0.810
H7	-0.471	-1.101	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4637	1.1119	1.1029	1.1029	2.0445	2.0445
N2	1.4637		2.1935	2.1053	2.1053	1.0227	1.0227
H3	1.1119	2.1935		1.7844	1.7844	2.4768	2.4768
H4	1.1029	2.1053	1.7844		1.7708	2.9539	2.4198
H5	1.1029	2.1053	1.7844	1.7708		2.4198	2.9539
H6	2.0445	1.0227	2.4768	2.9539	2.4198		1.6208
H7	2.0445	1.0227	2.4768	2.4198	2.9539	1.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.346	C1	N2	H7	109.346
N2	C1	H3	116.115	N2	C1	H4	109.417
N2	C1	H5	109.417	H3	C1	H4	107.346
H3	C1	H5	107.346	H4	C1	H5	106.792
H6	N2	H7	104.819

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

using model chemistry: B3LYP/cc-pVDZ

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	0.009
2	N	-0.201
3	H	0.000
4	H	0.025
5	H	0.025
6	H	0.071
7	H	0.071

	x	y	z	Total
	-1.255	0.237	0.000	1.277
CHELPG
AIM
ESP

	x	y	z
x	2.683	0.160	0.000
y	0.160	3.319	0.000
z	0.000	0.000	3.007

<r²>	26.725
(<r²>)^1/2	5.170

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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