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	hartrees
Energy at 0K	-95.813714
Energy at 298.15K
HF Energy	-95.813714
Nuclear repulsion energy	42.063487

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'	3543	3394	0.78	124.53	0.08	0.14
2	A'	3105	2974	32.81	102.43	0.32	0.49
3	A'	3010	2884	88.32	169.22	0.09	0.17
4	A'	1648	1579	20.35	2.87	0.71	0.83
5	A'	1474	1412	6.81	5.28	0.68	0.81
6	A'	1434	1373	1.80	0.87	0.48	0.65
7	A'	1161	1112	5.89	0.38	0.12	0.21
8	A'	1094	1048	14.03	8.28	0.15	0.26
9	A'	825	791	139.21	1.27	0.32	0.49
10	A"	3627	3474	2.08	50.12	0.75	0.86
11	A"	3145	3013	27.69	59.06	0.75	0.86
12	A"	1493	1431	4.53	6.19	0.75	0.86
13	A"	1336	1280	0.16	0.36	0.75	0.86
14	A"	968	928	0.07	0.12	0.75	0.86
15	A"	309	296	32.57	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.701	0.000
N2	0.050	-0.754	0.000
H3	-0.947	1.172	0.000
H4	0.592	1.062	0.881
H5	0.592	1.062	-0.881
H6	-0.441	-1.112	-0.811
H7	-0.441	-1.112	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4554	1.1023	1.0954	1.0954	2.0463	2.0463
N2	1.4554		2.1688	2.0897	2.0897	1.0135	1.0135
H3	1.1023	2.1688		1.7769	1.7769	2.4760	2.4760
H4	1.0954	2.0897	1.7769		1.7613	2.9420	2.4079
H5	1.0954	2.0897	1.7769	1.7613		2.4079	2.9420
H6	2.0463	1.0135	2.4760	2.9420	2.4079		1.6222
H7	2.0463	1.0135	2.4760	2.4079	2.9420	1.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.678	C1	N2	H7	110.678
N2	C1	H3	115.285	N2	C1	H4	109.201
N2	C1	H5	109.201	H3	C1	H4	107.908
H3	C1	H5	107.908	H4	C1	H5	107.025
H6	N2	H7	106.318

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

using model chemistry: B1B95/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	0.955
2	N	-0.150
3	H	-0.205
4	H	-0.240
5	H	-0.240
6	H	-0.060
7	H	-0.060

	x	y	z	Total
	-1.256	0.342	0.000	1.302
CHELPG
AIM
ESP

	x	y	z
x	3.676	-0.018	0.000
y	-0.018	4.216	0.000
z	0.000	0.000	3.580

<r²>	26.729
(<r²>)^1/2	5.170

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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