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	hartrees
Energy at 0K	-95.873897
Energy at 298.15K
HF Energy	-95.873897
Nuclear repulsion energy	41.834787

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'	3494	3391	1.18	128.88	0.08	0.15
2	A'	3068	2977	32.75	109.00	0.28	0.44
3	A'	2976	2887	91.36	169.42	0.12	0.21
4	A'	1645	1596	19.14	2.91	0.70	0.82
5	A'	1471	1427	6.57	5.40	0.67	0.80
6	A'	1434	1391	1.94	0.86	0.48	0.65
7	A'	1156	1122	5.48	0.16	0.18	0.31
8	A'	1061	1030	13.05	9.20	0.15	0.26
9	A'	817	793	140.13	1.22	0.35	0.52
10	A"	3574	3469	1.32	52.51	0.75	0.86
11	A"	3105	3013	29.26	60.41	0.75	0.86
12	A"	1490	1446	4.37	6.33	0.75	0.86
13	A"	1333	1293	0.09	0.41	0.75	0.86
14	A"	966	938	0.06	0.15	0.75	0.86
15	A"	302	293	31.67	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.707	0.000
N2	0.049	-0.759	0.000
H3	-0.951	1.177	0.000
H4	0.593	1.067	0.884
H5	0.593	1.067	-0.884
H6	-0.439	-1.121	-0.815
H7	-0.439	-1.121	0.815

	C1	N2	H3	H4	H5	H6	H7
C1		1.4666	1.1057	1.0986	1.0986	2.0610	2.0610
N2	1.4666		2.1799	2.1006	2.1006	1.0170	1.0170
H3	1.1057	2.1799		1.7832	1.7832	2.4922	2.4922
H4	1.0986	2.1006	1.7832		1.7687	2.9568	2.4206
H5	1.0986	2.1006	1.7832	1.7687		2.4206	2.9568
H6	2.0610	1.0170	2.4922	2.9568	2.4206		1.6303
H7	2.0610	1.0170	2.4922	2.4206	2.9568	1.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.863	C1	N2	H7	110.863
N2	C1	H3	115.153	N2	C1	H4	109.104
N2	C1	H5	109.104	H3	C1	H4	107.990
H3	C1	H5	107.990	H4	C1	H5	107.214
H6	N2	H7	106.545

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

using model chemistry: B3LYPultrafine/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	1.140
2	N	-0.059
3	H	-0.272
4	H	-0.313
5	H	-0.313
6	H	-0.092
7	H	-0.092

	x	y	z	Total
	-1.250	0.362	0.000	1.301
CHELPG
AIM
ESP

	x	y	z
x	3.768	-0.026	0.000
y	-0.026	4.317	0.000
z	0.000	0.000	3.651

<r²>	27.066
(<r²>)^1/2	5.202

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

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