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	hartrees
Energy at 0K	-95.250855
Energy at 298.15K
HF Energy	-95.250855
Nuclear repulsion energy	42.359059

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'	3730	3389	0.10	100.64	0.12	0.21
2	A'	3204	2912	53.68	101.88	0.27	0.43
3	A'	3123	2838	98.45	139.49	0.14	0.25
4	A'	1804	1639	32.08	5.32	0.75	0.86
5	A'	1618	1470	6.76	14.28	0.70	0.82
6	A'	1585	1440	4.04	3.29	0.71	0.83
7	A'	1269	1153	15.20	2.40	0.53	0.69
8	A'	1132	1029	21.27	12.08	0.31	0.48
9	A'	905	822	184.14	2.19	0.70	0.82
10	A"	3809	3461	1.33	59.65	0.75	0.86
11	A"	3238	2942	51.07	74.50	0.75	0.86
12	A"	1637	1487	2.82	14.76	0.75	0.86
13	A"	1459	1325	0.10	2.36	0.75	0.86
14	A"	1044	948	0.05	0.02	0.75	0.86
15	A"	328	298	42.19	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.048	0.702	0.000
N2	0.048	-0.751	0.000
H3	-0.944	1.154	0.000
H4	0.580	1.060	0.873
H5	0.580	1.060	-0.873
H6	-0.418	-1.113	-0.806
H7	-0.418	-1.113	0.806

	C1	N2	H3	H4	H5	H6	H7
C1		1.4530	1.0897	1.0833	1.0833	2.0397	2.0397
N2	1.4530		2.1475	2.0800	2.0800	0.9986	0.9986
H3	1.0897	2.1475		1.7585	1.7585	2.4628	2.4628
H4	1.0833	2.0800	1.7585		1.7457	2.9218	2.3924
H5	1.0833	2.0800	1.7585	1.7457		2.3924	2.9218
H6	2.0397	0.9986	2.4628	2.9218	2.3924		1.6118
H7	2.0397	0.9986	2.4628	2.3924	2.9218	1.6118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.260	C1	N2	H7	111.260
N2	C1	H3	114.501	N2	C1	H4	109.323
N2	C1	H5	109.323	H3	C1	H4	108.045
H3	C1	H5	108.045	H4	C1	H5	107.364
H6	N2	H7	107.620

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

using model chemistry: HF/TZVP

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	-0.143
2	N	-0.459
3	H	0.058
4	H	0.083
5	H	0.083
6	H	0.189
7	H	0.189

	x	y	z	Total
	-1.402	0.402	0.000	1.459
CHELPG
AIM
ESP

	x	y	z
x	2.816	0.071	0.000
y	0.071	3.215	0.000
z	0.000	0.000	3.016

<r²>	26.420
(<r²>)^1/2	5.140

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

using model chemistry: HF/TZVP

States and conformations

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