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	hartrees
Energy at 0K	-95.843366
Energy at 298.15K
HF Energy	-95.843366
Nuclear repulsion energy	41.869893

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'	3433	3386	1.81	121.59	0.09	0.17
2	A'	3005	2963	39.24	111.21	0.23	0.37
3	A'	2902	2862	106.48	166.97	0.16	0.28
4	A'	1636	1613	17.56	6.35	0.67	0.80
5	A'	1467	1447	6.62	14.60	0.61	0.75
6	A'	1429	1409	2.41	3.05	0.48	0.65
7	A'	1150	1134	5.61	2.33	0.41	0.58
8	A'	1029	1015	7.88	8.31	0.26	0.41
9	A'	824	813	150.26	1.99	0.72	0.83
10	A"	3512	3464	0.00	59.83	0.75	0.86
11	A"	3043	3002	36.05	68.64	0.75	0.86
12	A"	1489	1468	3.23	11.93	0.75	0.86
13	A"	1325	1307	0.04	1.29	0.75	0.86
14	A"	961	948	0.07	0.03	0.75	0.86
15	A"	296	292	33.64	0.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.706	0.000
N2	0.051	-0.762	0.000
H3	-0.946	1.181	0.000
H4	0.593	1.066	0.882
H5	0.593	1.066	-0.882
H6	-0.451	-1.110	-0.812
H7	-0.451	-1.110	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4680	1.1038	1.0953	1.0953	2.0520	2.0520
N2	1.4680		2.1831	2.1002	2.1002	1.0161	1.0161
H3	1.1038	2.1831		1.7767	1.7767	2.4803	2.4803
H4	1.0953	2.1002	1.7767		1.7630	2.9482	2.4145
H5	1.0953	2.1002	1.7767	1.7630		2.4145	2.9482
H6	2.0520	1.0161	2.4803	2.9482	2.4145		1.6236
H7	2.0520	1.0161	2.4803	2.4145	2.9482	1.6236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.059	C1	N2	H7	110.059
N2	C1	H3	115.451	N2	C1	H4	109.169
N2	C1	H5	109.169	H3	C1	H4	107.781
H3	C1	H5	107.781	H4	C1	H5	107.180
H6	N2	H7	106.054

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

using model chemistry: B97D3/Def2TZVPP

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	-0.103
2	N	-0.343
3	H	0.061
4	H	0.066
5	H	0.066
6	H	0.127
7	H	0.127

	x	y	z	Total
	-1.251	0.309	0.000	1.289
CHELPG
AIM
ESP

	x	y	z
x	3.326	0.060	0.000
y	0.060	3.952	0.000
z	0.000	0.000	3.459

<r²>	26.859
(<r²>)^1/2	5.183

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

using model chemistry: B97D3/Def2TZVPP

States and conformations

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