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	hartrees
Energy at 0K	-95.843625
Energy at 298.15K
HF Energy	-95.843625
Nuclear repulsion energy	42.063505

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'	3544	3544	2.37	98.04	0.13	0.23
2	A'	3083	3083	46.30	93.36	0.29	0.45
3	A'	2979	2979	101.68	137.04	0.17	0.29
4	A'	1733	1733	34.51	7.13	0.75	0.85
5	A'	1524	1524	8.69	16.97	0.69	0.82
6	A'	1481	1481	2.01	5.59	0.69	0.82
7	A'	1193	1193	9.25	2.70	0.49	0.66
8	A'	1095	1095	10.79	8.26	0.31	0.47
9	A'	876	876	184.60	2.91	0.65	0.79
10	A"	3623	3623	0.30	62.33	0.75	0.86
11	A"	3123	3123	41.29	75.00	0.75	0.86
12	A"	1543	1543	4.42	17.01	0.75	0.86
13	A"	1375	1375	0.19	2.69	0.75	0.86
14	A"	998	998	0.04	0.25	0.75	0.86
15	A"	327	327	45.97	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.050	0.702	0.000
N2	0.050	-0.757	0.000
H3	-0.945	1.173	0.000
H4	0.592	1.062	0.878
H5	0.592	1.062	-0.878
H6	-0.445	-1.105	-0.812
H7	-0.445	-1.105	0.812

	C1	N2	H3	H4	H5	H6	H7
C1		1.4585	1.1011	1.0928	1.0928	2.0412	2.0412
N2	1.4585		2.1712	2.0913	2.0913	1.0125	1.0125
H3	1.1011	2.1712		1.7732	1.7732	2.4689	2.4689
H4	1.0928	2.0913	1.7732		1.7560	2.9369	2.4029
H5	1.0928	2.0913	1.7732	1.7560		2.4029	2.9369
H6	2.0412	1.0125	2.4689	2.9369	2.4029		1.6238
H7	2.0412	1.0125	2.4689	2.4029	2.9369	1.6238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.083	C1	N2	H7	110.083
N2	C1	H3	115.335	N2	C1	H4	109.275
N2	C1	H5	109.275	H3	C1	H4	107.850
H3	C1	H5	107.850	H4	C1	H5	106.927
H6	N2	H7	106.620

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

using model chemistry: wB97X-D/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	-0.500
2	N	-0.756
3	H	0.187
4	H	0.218
5	H	0.218
6	H	0.317
7	H	0.317

	x	y	z	Total
	-1.454	0.356	0.000	1.497
CHELPG
AIM
ESP

	x	y	z
x	2.677	0.121	0.000
y	0.121	3.205	0.000
z	0.000	0.000	2.994

<r²>	26.547
(<r²>)^1/2	5.152

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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