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	hartrees
Energy at 0K	-95.262152
Energy at 298.15K
HF Energy	-95.262152
Nuclear repulsion energy	42.413516

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'	3729	3388	0.57	109.70	0.08	0.15
2	A'	3194	2902	47.10	102.32	0.24	0.38
3	A'	3119	2834	92.00	148.01	0.10	0.18
4	A'	1794	1630	25.92	1.81	0.75	0.86
5	A'	1617	1469	5.83	4.56	0.71	0.83
6	A'	1582	1437	2.89	0.36	0.53	0.69
7	A'	1267	1151	11.23	0.11	0.49	0.65
8	A'	1134	1030	22.07	11.43	0.19	0.32
9	A'	898	816	153.38	0.65	0.53	0.69
10	A"	3806	3457	3.44	46.88	0.75	0.86
11	A"	3227	2931	45.18	58.17	0.75	0.86
12	A"	1634	1485	3.89	5.14	0.75	0.86
13	A"	1456	1322	0.03	0.47	0.75	0.86
14	A"	1040	945	0.00	0.01	0.75	0.86
15	A"	316	287	33.62	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.701	0.000
N2	0.048	-0.750	0.000
H3	-0.943	1.151	0.000
H4	0.578	1.060	0.872
H5	0.578	1.060	-0.872
H6	-0.417	-1.113	-0.804
H7	-0.417	-1.113	0.804

	C1	N2	H3	H4	H5	H6	H7
C1		1.4513	1.0879	1.0820	1.0820	2.0383	2.0383
N2	1.4513		2.1438	2.0779	2.0779	0.9969	0.9969
H3	1.0879	2.1438		1.7556	1.7556	2.4600	2.4600
H4	1.0820	2.0779	1.7556		1.7443	2.9191	2.3910
H5	1.0820	2.0779	1.7556	1.7443		2.3910	2.9191
H6	2.0383	0.9969	2.4600	2.9191	2.3910		1.6077
H7	2.0383	0.9969	2.4600	2.3910	2.9191	1.6077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.377	C1	N2	H7	111.377
N2	C1	H3	114.434	N2	C1	H4	109.352
N2	C1	H5	109.352	H3	C1	H4	108.018
H3	C1	H5	108.018	H4	C1	H5	107.434
H6	N2	H7	107.492

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

using model chemistry: HF/aug-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	-0.652
2	N	-0.602
3	H	0.237
4	H	0.270
5	H	0.270
6	H	0.239
7	H	0.239

	x	y	z	Total
	-1.289	0.366	0.000	1.340
CHELPG
AIM
ESP

	x	y	z
x	3.339	0.011	0.000
y	0.011	3.843	0.000
z	0.000	0.000	3.334

<r²>	26.412
(<r²>)^1/2	5.139

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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