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	hartrees
Energy at 0K	-95.822640
Energy at 298.15K
HF Energy	-95.678719
Nuclear repulsion energy	42.084651

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'	3527	3527	0.85	130.47	0.07	0.12
2	A'	3091	3091	29.47	103.79	0.26	0.41
3	A'	3008	3008	80.91	163.23	0.11	0.19
4	A'	1669	1669	20.13	2.43	0.72	0.84
5	A'	1516	1516	6.30	5.18	0.68	0.81
6	A'	1470	1470	2.02	0.55	0.46	0.63
7	A'	1179	1179	6.07	0.31	0.09	0.17
8	A'	1065	1065	12.75	9.70	0.13	0.23
9	A'	832	832	140.58	1.43	0.24	0.39
10	A"	3604	3604	2.60	48.63	0.75	0.86
11	A"	3126	3126	26.59	55.54	0.75	0.86
12	A"	1536	1536	4.39	5.49	0.75	0.86
13	A"	1355	1355	0.06	0.33	0.75	0.86
14	A"	979	979	0.01	0.09	0.75	0.86
15	A"	291	291	31.05	0.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.706	0.000
N2	0.049	-0.756	0.000
H3	-0.943	1.167	0.000
H4	0.586	1.062	0.876
H5	0.586	1.062	-0.876
H6	-0.435	-1.115	-0.811
H7	-0.435	-1.115	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4620	1.0942	1.0877	1.0877	2.0509	2.0509
N2	1.4620		2.1640	2.0889	2.0889	1.0103	1.0103
H3	1.0942	2.1640		1.7657	1.7657	2.4741	2.4741
H4	1.0877	2.0889	1.7657		1.7522	2.9375	2.4056
H5	1.0877	2.0889	1.7657	1.7522		2.4056	2.9375
H6	2.0509	1.0103	2.4741	2.9375	2.4056		1.6220
H7	2.0509	1.0103	2.4741	2.4056	2.9375	1.6220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.780	C1	N2	H7	110.780
N2	C1	H3	114.917	N2	C1	H4	109.137
N2	C1	H5	109.137	H3	C1	H4	108.040
H3	C1	H5	108.040	H4	C1	H5	107.304
H6	N2	H7	106.787

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

using model chemistry: B2PLYP=FULL/daug-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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All results from a given calculation for CH3NH2 (methyl amine)

using model chemistry: B2PLYP=FULL/daug-cc-pVTZ

States and conformations

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