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	hartrees
Energy at 0K	-94.608168
Energy at 298.15K
HF Energy	-94.608168
Nuclear repulsion energy	40.577513

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'	3350	3350	29.47	11.52	0.35	0.52
2	A'	3317	3317	8.10	75.59	0.22	0.36
3	A'	3177	3177	18.10	40.98	0.06	0.10
4	A'	1830	1830	4.49	11.75	0.70	0.82
5	A'	1639	1639	5.07	17.34	0.75	0.86
6	A'	1548	1548	2.11	4.77	0.73	0.84
7	A'	1289	1289	7.28	5.42	0.74	0.85
8	A'	1075	1075	5.09	9.78	0.40	0.57
9	A'	931	931	44.53	2.92	0.35	0.52
10	A"	3517	3517	26.50	27.65	0.75	0.86
11	A"	3393	3393	1.92	31.31	0.75	0.86
12	A"	1654	1654	1.22	16.66	0.75	0.86
13	A"	1474	1474	1.83	10.01	0.75	0.86
14	A"	1016	1016	0.03	0.42	0.75	0.86
15	A"	351	351	35.91	1.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.067	0.727	0.000
N2	0.067	-0.805	0.000
H3	-0.944	1.200	0.000
H4	0.614	1.078	0.900
H5	0.614	1.078	-0.900
H6	-0.580	-1.044	-0.822
H7	-0.580	-1.044	0.822

	C1	N2	H3	H4	H5	H6	H7
C1		1.5320	1.1164	1.1093	1.1093	2.0573	2.0573
N2	1.5320		2.2450	2.1569	2.1569	1.0737	1.0737
H3	1.1164	2.2450		1.8031	1.8031	2.4168	2.4168
H4	1.1093	2.1569	1.8031		1.7991	2.9820	2.4359
H5	1.1093	2.1569	1.8031	1.7991		2.4359	2.9820
H6	2.0573	1.0737	2.4168	2.9820	2.4359		1.6447
H7	2.0573	1.0737	2.4168	2.4359	2.9820	1.6447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	102.869	C1	N2	H7	102.869
N2	C1	H3	115.022	N2	C1	H4	108.430
N2	C1	H5	108.430	H3	C1	H4	108.213
H3	C1	H5	108.213	H4	C1	H5	108.361
H6	N2	H7	99.974

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

using model chemistry: B97D3/STO-3G

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	-0.151
2	N	-0.345
3	H	0.059
4	H	0.076
5	H	0.076
6	H	0.142
7	H	0.142

	x	y	z	Total
	-1.551	0.647	0.000	1.681
CHELPG
AIM
ESP

	x	y	z
x	1.243	0.265	0.000
y	0.265	1.709	0.000
z	0.000	0.000	1.657

<r²>	27.126
(<r²>)^1/2	5.208

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

using model chemistry: B97D3/STO-3G

States and conformations

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