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	hartrees
Energy at 0K	-95.295040
Energy at 298.15K
HF Energy	-95.295040
Nuclear repulsion energy	41.744684

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'	3507	3507	0.45	100.16	0.13	0.22
2	A'	3101	3101	36.45	83.74	0.23	0.38
3	A'	2975	2975	103.37	126.32	0.23	0.37
4	A'	1741	1741	20.49	11.93	0.67	0.80
5	A'	1573	1573	12.91	30.31	0.70	0.83
6	A'	1512	1512	1.11	12.11	0.62	0.76
7	A'	1177	1177	7.17	7.32	0.54	0.70
8	A'	1076	1076	3.95	6.95	0.46	0.63
9	A'	672	672	268.98	7.46	0.34	0.51
10	A"	3608	3608	0.03	60.16	0.75	0.86
11	A"	3145	3145	29.41	68.69	0.75	0.86
12	A"	1596	1596	3.15	27.79	0.75	0.86
13	A"	1368	1368	0.54	5.15	0.75	0.86
14	A"	1003	1003	0.96	1.10	0.75	0.86
15	A"	318	318	57.09	4.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.042	0.714	0.000
N2	0.042	-0.758	0.000
H3	-0.953	1.194	0.000
H4	0.585	1.068	0.881
H5	0.585	1.068	-0.881
H6	-0.380	-1.153	-0.837
H7	-0.380	-1.153	0.837

	C1	N2	H3	H4	H5	H6	H7
C1		1.4714	1.1046	1.0941	1.0941	2.0892	2.0892
N2	1.4714		2.1905	2.0986	2.0986	1.0175	1.0175
H3	1.1046	2.1905		1.7770	1.7770	2.5571	2.5571
H4	1.0941	2.0986	1.7770		1.7623	2.9695	2.4223
H5	1.0941	2.0986	1.7770	1.7623		2.4223	2.9695
H6	2.0892	1.0175	2.5571	2.9695	2.4223		1.6741
H7	2.0892	1.0175	2.5571	2.4223	2.9695	1.6741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.887	C1	N2	H7	112.887
N2	C1	H3	115.773	N2	C1	H4	108.888
N2	C1	H5	108.888	H3	C1	H4	107.844
H3	C1	H5	107.844	H4	C1	H5	107.291
H6	N2	H7	110.710

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

using model chemistry: wB97X-D/3-21G

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	-0.457
2	N	-0.709
3	H	0.169
4	H	0.217
5	H	0.217
6	H	0.282
7	H	0.282

	x	y	z	Total
	-1.399	0.254	0.000	1.422
CHELPG
AIM
ESP

	x	y	z
x	2.072	0.119	0.000
y	0.119	2.817	0.000
z	0.000	0.000	2.640

<r²>	26.665
(<r²>)^1/2	5.164

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

using model chemistry: wB97X-D/3-21G

States and conformations

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