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	hartrees
Energy at 0K	-95.839485
Energy at 298.15K
HF Energy	-95.839485
Nuclear repulsion energy	42.216046

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'	3545	3545	0.69	126.58	0.07	0.14
2	A'	3090	3090	31.28	106.56	0.27	0.43
3	A'	3000	3000	86.63	171.18	0.10	0.19
4	A'	1662	1662	21.16	2.57	0.70	0.82
5	A'	1498	1498	6.71	5.55	0.67	0.80
6	A'	1455	1455	1.74	0.82	0.41	0.59
7	A'	1169	1169	5.87	0.39	0.09	0.16
8	A'	1084	1084	14.33	7.74	0.14	0.25
9	A'	821	821	143.48	1.66	0.22	0.36
10	A"	3625	3625	2.79	49.72	0.75	0.86
11	A"	3128	3128	27.09	58.41	0.75	0.86
12	A"	1518	1518	4.63	5.78	0.75	0.86
13	A"	1344	1344	0.09	0.31	0.75	0.86
14	A"	971	971	0.07	0.09	0.75	0.86
15	A"	296	296	31.68	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.701	0.000
N2	0.049	-0.752	0.000
H3	-0.942	1.166	0.000
H4	0.586	1.060	0.875
H5	0.586	1.060	-0.875
H6	-0.433	-1.112	-0.810
H7	-0.433	-1.112	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4533	1.0948	1.0878	1.0878	2.0430	2.0430
N2	1.4533		2.1594	2.0828	2.0828	1.0086	1.0086
H3	1.0948	2.1594		1.7646	1.7646	2.4707	2.4707
H4	1.0878	2.0828	1.7646		1.7499	2.9314	2.3996
H5	1.0878	2.0828	1.7646	1.7499		2.3996	2.9314
H6	2.0430	1.0086	2.4707	2.9314	2.3996		1.6201
H7	2.0430	1.0086	2.4707	2.3996	2.9314	1.6201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.869	C1	N2	H7	110.869
N2	C1	H3	115.146	N2	C1	H4	109.257
N2	C1	H5	109.257	H3	C1	H4	107.893
H3	C1	H5	107.893	H4	C1	H5	107.094
H6	N2	H7	106.867

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

using model chemistry: B1B95/daug-cc-pVTZ

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	-1.556
2	N	-0.696
3	H	0.625
4	H	0.648
5	H	0.648
6	H	0.165
7	H	0.165

	x	y	z	Total
	-1.236	0.337	0.000	1.281
CHELPG
AIM
ESP

	x	y	z
x	3.683	-0.024	0.000
y	-0.024	4.237	0.000
z	0.000	0.000	3.580

<r²>	26.579
(<r²>)^1/2	5.155

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

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

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