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	hartrees
Energy at 0K	-95.887777
Energy at 298.15K
HF Energy	-95.887777
Nuclear repulsion energy	41.889053

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'	3464	3464	2.84	111.78	0.12	0.21
2	A'	3056	3056	44.83	102.90	0.24	0.39
3	A'	2949	2949	108.58	149.98	0.19	0.31
4	A'	1674	1674	20.74	7.51	0.72	0.84
5	A'	1509	1509	6.87	16.65	0.67	0.81
6	A'	1465	1465	3.55	5.03	0.61	0.75
7	A'	1177	1177	8.23	2.84	0.43	0.61
8	A'	1053	1053	7.44	8.81	0.31	0.47
9	A'	863	863	154.65	3.21	0.67	0.80
10	A"	3539	3539	0.83	67.38	0.75	0.86
11	A"	3094	3094	42.13	76.14	0.75	0.86
12	A"	1531	1531	2.65	15.63	0.75	0.86
13	A"	1357	1357	0.19	2.51	0.75	0.86
14	A"	975	975	0.01	0.23	0.75	0.86
15	A"	322	322	38.57	1.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.052	0.706	0.000
N2	0.052	-0.762	0.000
H3	-0.943	1.181	0.000
H4	0.594	1.062	0.880
H5	0.594	1.062	-0.880
H6	-0.459	-1.102	-0.811
H7	-0.459	-1.102	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4684	1.1024	1.0935	1.0935	2.0469	2.0469
N2	1.4684		2.1832	2.0970	2.0970	1.0171	1.0171
H3	1.1024	2.1832		1.7755	1.7755	2.4710	2.4710
H4	1.0935	2.0970	1.7755		1.7605	2.9420	2.4082
H5	1.0935	2.0970	1.7755	1.7605		2.4082	2.9420
H6	2.0469	1.0171	2.4710	2.9420	2.4082		1.6220
H7	2.0469	1.0171	2.4710	2.4082	2.9420	1.6220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.536	C1	N2	H7	109.536
N2	C1	H3	115.519	N2	C1	H4	108.995
N2	C1	H5	108.995	H3	C1	H4	107.908
H3	C1	H5	107.908	H4	C1	H5	107.208
H6	N2	H7	105.757

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

using model chemistry: TPSSh/6-311G**

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	-0.202
2	N	-0.488
3	H	0.085
4	H	0.111
5	H	0.111
6	H	0.191
7	H	0.191

	x	y	z	Total
	-1.351	0.360	0.000	1.398
CHELPG
AIM
ESP

	x	y	z
x	2.813	0.130	0.000
y	0.130	3.428	0.000
z	0.000	0.000	3.114

<r²>	26.689
(<r²>)^1/2	5.166

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

using model chemistry: TPSSh/6-311G**

States and conformations

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