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	hartrees
Energy at 0K	-95.843167
Energy at 298.15K
HF Energy	-95.843167
Nuclear repulsion energy	41.685865

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'	3566	3428	0.18	101.46	0.13	0.23
2	A'	3081	2962	60.17	87.58	0.24	0.39
3	A'	2961	2846	139.68	148.91	0.13	0.23
4	A'	1687	1622	34.16	8.39	0.68	0.81
5	A'	1519	1460	10.67	21.96	0.71	0.83
6	A'	1483	1426	4.31	7.98	0.74	0.85
7	A'	1149	1105	8.36	7.17	0.58	0.74
8	A'	1090	1048	14.86	10.57	0.36	0.52
9	A'	577	555	338.76	5.62	0.20	0.33
10	A"	3692	3549	1.10	50.70	0.75	0.86
11	A"	3130	3009	51.80	62.69	0.75	0.86
12	A"	1538	1479	7.14	19.24	0.75	0.86
13	A"	1319	1268	0.06	5.40	0.75	0.86
14	A"	960	922	3.44	0.67	0.75	0.86
15	A"	270	260	47.61	3.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	0.717	0.000
N2	0.035	-0.753	0.000
H3	-0.968	1.187	0.000
H4	0.576	1.083	0.882
H5	0.576	1.083	-0.882
H6	-0.317	-1.191	-0.846
H7	-0.317	-1.191	0.846

	C1	N2	H3	H4	H5	H6	H7
C1		1.4701	1.1074	1.0971	1.0971	2.1163	2.1163
N2	1.4701		2.1838	2.1071	2.1071	1.0149	1.0149
H3	1.1074	2.1838		1.7808	1.7808	2.6063	2.6063
H4	1.0971	2.1071	1.7808		1.7635	2.9914	2.4426
H5	1.0971	2.1071	1.7808	1.7635		2.4426	2.9914
H6	2.1163	1.0149	2.6063	2.9914	2.4426		1.6910
H7	2.1163	1.0149	2.6063	2.4426	2.9914	1.6910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	115.551	C1	N2	H7	115.551
N2	C1	H3	115.103	N2	C1	H4	109.462
N2	C1	H5	109.462	H3	C1	H4	107.764
H3	C1	H5	107.764	H4	C1	H5	106.968
H6	N2	H7	112.832

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

using model chemistry: B3LYP/SDD

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	-0.534
2	N	-0.599
3	H	0.178
4	H	0.208
5	H	0.208
6	H	0.270
7	H	0.270

	x	y	z	Total
	-1.309	0.207	0.000	1.325
CHELPG
AIM
ESP

	x	y	z
x	2.193	0.078	0.000
y	0.078	2.993	0.000
z	0.000	0.000	2.805

<r²>	26.903
(<r²>)^1/2	5.187

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

using model chemistry: B3LYP/SDD

States and conformations

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