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	hartrees
Energy at 0K	-95.876409
Energy at 298.15K
HF Energy	-95.876409
Nuclear repulsion energy	41.795644

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'	3457	3457	3.10	136.56	0.08	0.15
2	A'	3061	3061	38.82	112.68	0.28	0.43
3	A'	2965	2965	100.30	177.84	0.12	0.21
4	A'	1652	1652	17.61	2.89	0.71	0.83
5	A'	1487	1487	5.73	6.15	0.68	0.81
6	A'	1439	1439	3.32	0.88	0.43	0.61
7	A'	1165	1165	6.58	0.58	0.08	0.15
8	A'	1055	1055	11.25	9.55	0.14	0.24
9	A'	842	842	127.88	2.04	0.24	0.39
10	A"	3536	3536	0.02	56.07	0.75	0.86
11	A"	3100	3100	36.42	62.33	0.75	0.86
12	A"	1507	1507	3.27	6.31	0.75	0.86
13	A"	1340	1340	0.08	0.36	0.75	0.86
14	A"	963	963	0.00	0.11	0.75	0.86
15	A"	308	308	30.89	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.708	0.000
N2	0.052	-0.762	0.000
H3	-0.950	1.177	0.000
H4	0.595	1.064	0.886
H5	0.595	1.064	-0.886
H6	-0.455	-1.111	-0.813
H7	-0.455	-1.111	0.813

	C1	N2	H3	H4	H5	H6	H7
C1		1.4697	1.1057	1.0982	1.0982	2.0561	2.0561
N2	1.4697		2.1819	2.1002	2.1002	1.0198	1.0198
H3	1.1057	2.1819		1.7844	1.7844	2.4781	2.4781
H4	1.0982	2.1002	1.7844		1.7710	2.9526	2.4161
H5	1.0982	2.1002	1.7844	1.7710		2.4161	2.9526
H6	2.0561	1.0198	2.4781	2.9526	2.4161		1.6262
H7	2.0561	1.0198	2.4781	2.4161	2.9526	1.6262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.044	C1	N2	H7	110.044
N2	C1	H3	115.085	N2	C1	H4	108.888
N2	C1	H5	108.888	H3	C1	H4	108.122
H3	C1	H5	108.122	H4	C1	H5	107.483
H6	N2	H7	105.747

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

using model chemistry: TPSSh/daug-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	1.093
2	N	-0.319
3	H	-0.262
4	H	-0.259
5	H	-0.259
6	H	0.003
7	H	0.003

	x	y	z	Total
	-1.255	0.387	0.000	1.313
CHELPG
AIM
ESP

	x	y	z
x	3.831	-0.031	0.000
y	-0.031	4.391	0.000
z	0.000	0.000	3.694

<r²>	26.992
(<r²>)^1/2	5.195

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

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

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