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	hartrees
Energy at 0K	-95.266199
Energy at 298.15K
HF Energy	-95.266199
Nuclear repulsion energy	41.661718

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'	3473	3290	0.18	101.36	0.13	0.23
2	A'	3112	2948	29.71	78.33	0.21	0.35
3	A'	2993	2835	81.14	108.49	0.21	0.35
4	A'	1726	1634	20.16	12.14	0.68	0.81
5	A'	1574	1491	11.82	27.83	0.72	0.83
6	A'	1510	1430	1.06	11.36	0.64	0.78
7	A'	1174	1112	7.12	6.84	0.54	0.70
8	A'	1074	1017	3.64	7.90	0.43	0.60
9	A'	680	644	254.99	7.90	0.33	0.50
10	A"	3576	3388	0.18	60.47	0.75	0.86
11	A"	3151	2985	24.34	62.20	0.75	0.86
12	A"	1597	1513	2.73	26.18	0.75	0.86
13	A"	1363	1291	0.38	5.67	0.75	0.86
14	A"	993	940	0.57	1.16	0.75	0.86
15	A"	316	299	54.83	4.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.716	0.000
N2	0.042	-0.760	0.000
H3	-0.951	1.195	0.000
H4	0.586	1.068	0.881
H5	0.586	1.068	-0.881
H6	-0.386	-1.156	-0.838
H7	-0.386	-1.156	0.838

	C1	N2	H3	H4	H5	H6	H7
C1		1.4764	1.1023	1.0932	1.0932	2.0954	2.0954
N2	1.4764		2.1928	2.1008	2.1008	1.0212	1.0212
H3	1.1023	2.1928		1.7758	1.7758	2.5588	2.5588
H4	1.0932	2.1008	1.7758		1.7614	2.9741	2.4274
H5	1.0932	2.1008	1.7758	1.7614		2.4274	2.9741
H6	2.0954	1.0212	2.5588	2.9741	2.4274		1.6767
H7	2.0954	1.0212	2.5588	2.4274	2.9741	1.6767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.794	C1	N2	H7	112.794
N2	C1	H3	115.743	N2	C1	H4	108.769
N2	C1	H5	108.769	H3	C1	H4	107.959
H3	C1	H5	107.959	H4	C1	H5	107.338
H6	N2	H7	110.354

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

using model chemistry: M06-2X/3-21G*

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	-0.420
2	N	-0.700
3	H	0.161
4	H	0.206
5	H	0.206
6	H	0.274
7	H	0.274

	x	y	z	Total
	-1.408	0.300	0.000	1.440
CHELPG
AIM
ESP

	x	y	z
x	2.040	0.148	0.000
y	0.148	2.807	0.000
z	0.000	0.000	2.639

<r²>	26.837
(<r²>)^1/2	5.180

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

using model chemistry: M06-2X/3-21G*

States and conformations

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