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	hartrees
Energy at 0K	-95.811299
Energy at 298.15K
HF Energy	-95.811299
Nuclear repulsion energy	41.762157

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'	3446	3386	1.87	108.67	0.10	0.18
2	A'	3020	2968	41.63	107.61	0.34	0.50
3	A'	2908	2858	126.03	172.69	0.19	0.31
4	A'	1648	1619	31.27	5.25	0.75	0.86
5	A'	1474	1449	9.09	13.63	0.69	0.82
6	A'	1435	1410	3.75	4.96	0.73	0.85
7	A'	1148	1128	6.63	0.80	0.75	0.86
8	A'	1035	1017	11.13	8.50	0.20	0.33
9	A'	817	803	185.50	3.10	0.64	0.78
10	A"	3540	3479	0.43	56.25	0.75	0.86
11	A"	3065	3012	37.83	73.20	0.75	0.86
12	A"	1494	1468	4.28	13.52	0.75	0.86
13	A"	1322	1299	0.01	2.11	0.75	0.86
14	A"	961	944	0.06	0.10	0.75	0.86
15	A"	312	307	42.27	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.709	0.000
N2	0.050	-0.762	0.000
H3	-0.950	1.186	0.000
H4	0.594	1.067	0.885
H5	0.594	1.067	-0.885
H6	-0.441	-1.120	-0.818
H7	-0.441	-1.120	0.818

	C1	N2	H3	H4	H5	H6	H7
C1		1.4702	1.1077	1.0986	1.0986	2.0625	2.0625
N2	1.4702		2.1889	2.1026	2.1026	1.0191	1.0191
H3	1.1077	2.1889		1.7835	1.7835	2.4989	2.4989
H4	1.0986	2.1026	1.7835		1.7692	2.9583	2.4202
H5	1.0986	2.1026	1.7835	1.7692		2.4202	2.9583
H6	2.0625	1.0191	2.4989	2.9583	2.4202		1.6359
H7	2.0625	1.0191	2.4989	2.4202	2.9583	1.6359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.592	C1	N2	H7	110.592
N2	C1	H3	115.509	N2	C1	H4	109.013
N2	C1	H5	109.013	H3	C1	H4	107.872
H3	C1	H5	107.872	H4	C1	H5	107.261
H6	N2	H7	106.768

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

using model chemistry: B97D3/6-31+G**

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	-0.391
2	N	-0.600
3	H	0.127
4	H	0.150
5	H	0.150
6	H	0.282
7	H	0.282

	x	y	z	Total
	-1.407	0.417	0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	3.332	-0.111	0.000
y	-0.111	3.752	0.000
z	0.000	0.000	3.184

<r²>	27.090
(<r²>)^1/2	5.205

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

using model chemistry: B97D3/6-31+G**

States and conformations

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