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	hartrees
Energy at 0K	-95.230999
Energy at 298.15K
HF Energy	-95.230999
Nuclear repulsion energy	42.228772

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'	3727	3394	0.43	109.86	0.08	0.15
2	A'	3211	2924	50.05	97.39	0.29	0.45
3	A'	3132	2852	92.50	150.04	0.08	0.16
4	A'	1781	1622	25.31	2.04	0.75	0.86
5	A'	1595	1452	5.91	4.56	0.72	0.84
6	A'	1560	1421	2.85	0.34	0.61	0.76
7	A'	1257	1145	11.41	0.09	0.63	0.77
8	A'	1140	1038	21.79	12.43	0.19	0.33
9	A'	906	825	147.70	0.63	0.63	0.78
10	A"	3807	3467	2.47	48.16	0.75	0.86
11	A"	3246	2955	46.45	59.83	0.75	0.86
12	A"	1613	1468	3.87	5.46	0.75	0.86
13	A"	1448	1318	0.00	0.51	0.75	0.86
14	A"	1035	943	0.01	0.03	0.75	0.86
15	A"	329	299	34.69	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.702	0.000
N2	0.049	-0.753	0.000
H3	-0.948	1.156	0.000
H4	0.584	1.062	0.878
H5	0.584	1.062	-0.878
H6	-0.427	-1.112	-0.806
H7	-0.427	-1.112	0.806

	C1	N2	H3	H4	H5	H6	H7
C1		1.4553	1.0956	1.0896	1.0896	2.0419	2.0419
N2	1.4553		2.1539	2.0859	2.0859	1.0025	1.0025
H3	1.0956	2.1539		1.7689	1.7689	2.4633	2.4633
H4	1.0896	2.0859	1.7689		1.7568	2.9302	2.3990
H5	1.0896	2.0859	1.7689	1.7568		2.3990	2.9302
H6	2.0419	1.0025	2.4633	2.9302	2.3990		1.6114
H7	2.0419	1.0025	2.4633	2.3990	2.9302	1.6114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.015	C1	N2	H7	111.015
N2	C1	H3	114.474	N2	C1	H4	109.252
N2	C1	H5	109.252	H3	C1	H4	108.095
H3	C1	H5	108.095	H4	C1	H5	107.442
H6	N2	H7	106.967

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

using model chemistry: HF/aug-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	0.779
2	N	-0.353
3	H	-0.105
4	H	-0.138
5	H	-0.138
6	H	-0.023
7	H	-0.023

	x	y	z	Total
	-1.314	0.378	0.000	1.367
CHELPG
AIM
ESP

	x	y	z
x	3.361	0.016	0.000
y	0.016	3.854	0.000
z	0.000	0.000	3.354

<r²>	26.591
(<r²>)^1/2	5.157

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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