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	hartrees
Energy at 0K	-95.730685
Energy at 298.15K
HF Energy	-95.631104
Nuclear repulsion energy	41.964827

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'	3504	3323	1.40	101.69	0.12	0.21
2	A'	3121	2960	40.94	83.64	0.29	0.45
3	A'	3017	2861	91.57	117.17	0.17	0.30
4	A'	1723	1634	23.29	10.55	0.69	0.82
5	A'	1550	1470	7.60	23.23	0.71	0.83
6	A'	1505	1427	2.96	8.32	0.65	0.79
7	A'	1211	1148	9.69	5.43	0.48	0.64
8	A'	1085	1029	7.10	9.03	0.34	0.51
9	A'	895	849	170.81	5.46	0.57	0.73
10	A"	3592	3407	0.21	62.90	0.75	0.86
11	A"	3163	3000	34.09	68.36	0.75	0.86
12	A"	1569	1488	1.90	22.14	0.75	0.86
13	A"	1388	1317	0.07	4.80	0.75	0.86
14	A"	997	946	0.00	0.57	0.75	0.86
15	A"	336	319	45.86	2.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.704	0.000
N2	0.052	-0.760	0.000
H3	-0.942	1.179	0.000
H4	0.592	1.060	0.880
H5	0.592	1.060	-0.880
H6	-0.457	-1.102	-0.811
H7	-0.457	-1.102	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4637	1.1013	1.0928	1.0928	2.0436	2.0436
N2	1.4637		2.1789	2.0928	2.0928	1.0167	1.0167
H3	1.1013	2.1789		1.7727	1.7727	2.4689	2.4689
H4	1.0928	2.0928	1.7727		1.7603	2.9387	2.4041
H5	1.0928	2.0928	1.7727	1.7603		2.4041	2.9387
H6	2.0436	1.0167	2.4689	2.9387	2.4041		1.6225
H7	2.0436	1.0167	2.4689	2.4041	2.9387	1.6225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.635	C1	N2	H7	109.635
N2	C1	H3	115.583	N2	C1	H4	109.031
N2	C1	H5	109.031	H3	C1	H4	107.794
H3	C1	H5	107.794	H4	C1	H5	107.303
H6	N2	H7	105.863

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

using model chemistry: B2PLYP=FULL/6-31G*

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/6-31G*

States and conformations

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