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	hartrees
Energy at 0K	-95.874552
Energy at 298.15K
HF Energy	-95.874552
Nuclear repulsion energy	41.843317

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'	3493	3493	1.27	133.33	0.08	0.14
2	A'	3064	3064	33.65	111.36	0.28	0.43
3	A'	2972	2972	92.29	176.69	0.11	0.20
4	A'	1646	1646	19.97	2.67	0.70	0.82
5	A'	1471	1471	6.50	5.91	0.66	0.80
6	A'	1429	1429	1.94	0.91	0.48	0.65
7	A'	1157	1157	5.64	0.41	0.08	0.15
8	A'	1060	1060	12.99	8.76	0.15	0.25
9	A'	820	820	139.36	1.97	0.22	0.35
10	A"	3573	3573	1.23	53.48	0.75	0.86
11	A"	3101	3101	30.41	61.06	0.75	0.86
12	A"	1491	1491	4.37	6.16	0.75	0.86
13	A"	1332	1332	0.10	0.28	0.75	0.86
14	A"	966	966	0.06	0.10	0.75	0.86
15	A"	296	296	31.32	0.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.707	0.000
N2	0.050	-0.759	0.000
H3	-0.951	1.176	0.000
H4	0.593	1.067	0.884
H5	0.593	1.067	-0.884
H6	-0.441	-1.120	-0.814
H7	-0.441	-1.120	0.814

	C1	N2	H3	H4	H5	H6	H7
C1		1.4667	1.1051	1.0980	1.0980	2.0600	2.0600
N2	1.4667		2.1790	2.1007	2.1007	1.0169	1.0169
H3	1.1051	2.1790		1.7820	1.7820	2.4895	2.4895
H4	1.0980	2.1007	1.7820		1.7678	2.9559	2.4202
H5	1.0980	2.1007	1.7820	1.7678		2.4202	2.9559
H6	2.0600	1.0169	2.4895	2.9559	2.4202		1.6290
H7	2.0600	1.0169	2.4895	2.4202	2.9559	1.6290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.781	C1	N2	H7	110.781
N2	C1	H3	115.114	N2	C1	H4	109.140
N2	C1	H5	109.140	H3	C1	H4	107.971
H3	C1	H5	107.971	H4	C1	H5	107.221
H6	N2	H7	106.446

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

using model chemistry: B3LYP/daug-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	1.627
2	N	-0.019
3	H	-0.472
4	H	-0.466
5	H	-0.466
6	H	-0.102
7	H	-0.102

	x	y	z	Total
	-1.245	0.367	0.000	1.298
CHELPG
AIM
ESP

	x	y	z
x	3.830	-0.033	0.000
y	-0.033	4.374	0.000
z	0.000	0.000	3.693

<r²>	27.058
(<r²>)^1/2	5.202

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

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

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