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	hartrees
Energy at 0K	-95.777316
Energy at 298.15K
HF Energy	-95.664404
Nuclear repulsion energy	41.976844

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'	3520	3520	1.06	104.07	0.12	0.21
2	A'	3087	3087	41.29	95.23	0.28	0.43
3	A'	2989	2989	92.96	139.76	0.16	0.27
4	A'	1676	1676	23.06	6.67	0.73	0.85
5	A'	1513	1513	7.02	15.58	0.68	0.81
6	A'	1476	1476	2.45	4.30	0.67	0.80
7	A'	1189	1189	8.71	2.47	0.45	0.62
8	A'	1071	1071	8.22	9.06	0.29	0.45
9	A'	875	875	157.90	2.95	0.64	0.78
10	A"	3600	3600	0.01	62.22	0.75	0.86
11	A"	3125	3125	36.74	72.08	0.75	0.86
12	A"	1535	1535	3.11	14.93	0.75	0.86
13	A"	1367	1367	0.17	2.27	0.75	0.86
14	A"	987	987	0.01	0.20	0.75	0.86
15	A"	325	325	38.85	1.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.705	0.000
N2	0.051	-0.761	0.000
H3	-0.942	1.176	0.000
H4	0.592	1.064	0.878
H5	0.592	1.064	-0.878
H6	-0.453	-1.103	-0.810
H7	-0.453	-1.103	0.810

	C1	N2	H3	H4	H5	H6	H7
C1		1.4653	1.0997	1.0919	1.0919	2.0442	2.0442
N2	1.4653		2.1767	2.0956	2.0956	1.0137	1.0137
H3	1.0997	2.1767		1.7712	1.7712	2.4680	2.4680
H4	1.0919	2.0956	1.7712		1.7564	2.9388	2.4065
H5	1.0919	2.0956	1.7712	1.7564		2.4065	2.9388
H6	2.0442	1.0137	2.4680	2.9388	2.4065		1.6200
H7	2.0442	1.0137	2.4680	2.4065	2.9388	1.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.757	C1	N2	H7	109.757
N2	C1	H3	115.377	N2	C1	H4	109.195
N2	C1	H5	109.195	H3	C1	H4	107.836
H3	C1	H5	107.836	H4	C1	H5	107.087
H6	N2	H7	106.086

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

using model chemistry: B2PLYP/6-311G**

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	-0.192
2	N	-0.471
3	H	0.081
4	H	0.106
5	H	0.106
6	H	0.185
7	H	0.185

	x	y	z	Total
	-1.356	0.362	0.000	1.404
CHELPG
AIM
ESP

	x	y	z
x	2.762	0.134	0.000
y	0.134	3.337	0.000
z	0.000	0.000	3.065

<r²>	26.712
(<r²>)^1/2	5.168

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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