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	hartrees
Energy at 0K	-95.873766
Energy at 298.15K
HF Energy	-95.873766
Nuclear repulsion energy	42.161043

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'	3547	3547	0.69	125.42	0.07	0.13
2	A'	3085	3085	30.37	105.25	0.27	0.43
3	A'	2994	2994	85.76	169.62	0.11	0.19
4	A'	1665	1665	21.46	2.53	0.70	0.82
5	A'	1498	1498	6.85	5.47	0.66	0.80
6	A'	1457	1457	1.50	0.81	0.40	0.57
7	A'	1171	1171	5.67	0.35	0.09	0.16
8	A'	1084	1084	13.80	7.53	0.14	0.25
9	A'	824	824	145.26	1.62	0.22	0.36
10	A"	3627	3627	2.91	49.01	0.75	0.86
11	A"	3123	3123	26.18	57.28	0.75	0.86
12	A"	1518	1518	4.93	5.67	0.75	0.86
13	A"	1348	1348	0.11	0.28	0.75	0.86
14	A"	974	974	0.10	0.09	0.75	0.86
15	A"	295	295	31.97	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.701	0.000
N2	0.049	-0.753	0.000
H3	-0.944	1.168	0.000
H4	0.587	1.061	0.877
H5	0.587	1.061	-0.877
H6	-0.433	-1.113	-0.811
H7	-0.433	-1.113	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4547	1.0970	1.0899	1.0899	2.0451	2.0451
N2	1.4547		2.1625	2.0859	2.0859	1.0097	1.0097
H3	1.0970	2.1625		1.7677	1.7677	2.4742	2.4742
H4	1.0899	2.0859	1.7677		1.7530	2.9355	2.4028
H5	1.0899	2.0859	1.7677	1.7530		2.4028	2.9355
H6	2.0451	1.0097	2.4742	2.9355	2.4028		1.6222
H7	2.0451	1.0097	2.4742	2.4028	2.9355	1.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.872	C1	N2	H7	110.872
N2	C1	H3	115.162	N2	C1	H4	109.280
N2	C1	H5	109.280	H3	C1	H4	107.870
H3	C1	H5	107.870	H4	C1	H5	107.072
H6	N2	H7	106.892

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

using model chemistry: mPW1PW91/daug-cc-pVTZ

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	-0.811
2	N	-0.639
3	H	0.385
4	H	0.428
5	H	0.428
6	H	0.104
7	H	0.104

	x	y	z	Total
	-1.241	0.332	0.000	1.285
CHELPG
AIM
ESP

	x	y	z
x	3.680	-0.025	0.000
y	-0.025	4.231	0.000
z	0.000	0.000	3.574

<r²>	26.617
(<r²>)^1/2	5.159

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

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

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