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	hartrees
Energy at 0K	-95.907123
Energy at 298.15K
HF Energy	-95.907123
Nuclear repulsion energy	41.973143

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'	3470	3470	1.47	122.07	0.09	0.17
2	A'	3053	3053	37.03	108.99	0.23	0.38
3	A'	2960	2960	95.41	161.42	0.14	0.24
4	A'	1666	1666	18.67	4.18	0.65	0.79
5	A'	1508	1508	5.86	8.57	0.66	0.80
6	A'	1462	1462	2.43	1.92	0.33	0.49
7	A'	1176	1176	7.58	1.08	0.38	0.55
8	A'	1050	1050	9.27	8.80	0.22	0.36
9	A'	845	845	144.48	1.14	0.70	0.83
10	A"	3544	3544	0.12	57.94	0.75	0.86
11	A"	3089	3089	33.76	64.99	0.75	0.86
12	A"	1528	1528	3.22	8.13	0.75	0.86
13	A"	1351	1351	0.07	0.80	0.75	0.86
14	A"	968	968	0.01	0.05	0.75	0.86
15	A"	304	304	32.41	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.706	0.000
N2	0.051	-0.760	0.000
H3	-0.943	1.174	0.000
H4	0.591	1.062	0.879
H5	0.591	1.062	-0.879
H6	-0.449	-1.108	-0.811
H7	-0.449	-1.108	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4657	1.0986	1.0910	1.0910	2.0492	2.0492
N2	1.4657		2.1739	2.0929	2.0929	1.0144	1.0144
H3	1.0986	2.1739		1.7716	1.7716	2.4715	2.4715
H4	1.0910	2.0929	1.7716		1.7575	2.9401	2.4072
H5	1.0910	2.0929	1.7716	1.7575		2.4072	2.9401
H6	2.0492	1.0144	2.4715	2.9401	2.4072		1.6213
H7	2.0492	1.0144	2.4715	2.4072	2.9401	1.6213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.101	C1	N2	H7	110.101
N2	C1	H3	115.196	N2	C1	H4	109.012
N2	C1	H5	109.012	H3	C1	H4	108.016
H3	C1	H5	108.016	H4	C1	H5	107.312
H6	N2	H7	106.100

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

using model chemistry: TPSSh/cc-pVQZ

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	-0.367
2	N	-0.443
3	H	0.106
4	H	0.172
5	H	0.172
6	H	0.180
7	H	0.180

	x	y	z	Total
	-1.242	0.336	0.000	1.287
CHELPG
AIM
ESP

	x	y	z
x	3.378	0.057	0.000
y	0.057	3.998	0.000
z	0.000	0.000	3.464

<r²>	26.729
(<r²>)^1/2	5.170

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

using model chemistry: TPSSh/cc-pVQZ

States and conformations

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