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	hartrees
Energy at 0K	-95.298863
Energy at 298.15K
HF Energy	-95.298863
Nuclear repulsion energy	41.739311

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'	3471	3296	0.95	103.28	0.12	0.22
2	A'	3096	2940	36.66	84.97	0.22	0.36
3	A'	2965	2816	109.96	128.23	0.23	0.37
4	A'	1737	1649	18.44	12.55	0.66	0.80
5	A'	1571	1492	13.17	30.13	0.70	0.82
6	A'	1506	1430	1.15	12.35	0.61	0.76
7	A'	1173	1114	6.89	7.21	0.51	0.67
8	A'	1069	1015	3.56	7.20	0.46	0.63
9	A'	690	655	253.24	7.68	0.35	0.52
10	A"	3572	3392	0.03	61.15	0.75	0.86
11	A"	3140	2982	29.72	68.39	0.75	0.86
12	A"	1595	1515	2.95	27.51	0.75	0.86
13	A"	1369	1300	0.68	5.04	0.75	0.86
14	A"	997	947	0.65	1.10	0.75	0.86
15	A"	327	310	57.28	4.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	0.712	0.000
N2	0.043	-0.759	0.000
H3	-0.949	1.199	0.000
H4	0.588	1.066	0.881
H5	0.588	1.066	-0.881
H6	-0.394	-1.147	-0.835
H7	-0.394	-1.147	0.835

	C1	N2	H3	H4	H5	H6	H7
C1		1.4708	1.1050	1.0941	1.0941	2.0850	2.0850
N2	1.4708		2.1949	2.0978	2.0978	1.0197	1.0197
H3	1.1050	2.1949		1.7761	1.7761	2.5522	2.5522
H4	1.0941	2.0978	1.7761		1.7610	2.9676	2.4217
H5	1.0941	2.0978	1.7761	1.7610		2.4217	2.9676
H6	2.0850	1.0197	2.5522	2.9676	2.4217		1.6706
H7	2.0850	1.0197	2.5522	2.4217	2.9676	1.6706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.418	C1	N2	H7	112.418
N2	C1	H3	116.159	N2	C1	H4	108.857
N2	C1	H5	108.857	H3	C1	H4	107.725
H3	C1	H5	107.725	H4	C1	H5	107.170
H6	N2	H7	110.004

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

using model chemistry: mPW1PW91/3-21G*

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	-0.476
2	N	-0.705
3	H	0.174
4	H	0.222
5	H	0.222
6	H	0.281
7	H	0.281

	x	y	z	Total
	-1.414	0.266	0.000	1.439
CHELPG
AIM
ESP

	x	y	z
x	2.087	0.125	0.000
y	0.125	2.867	0.000
z	0.000	0.000	2.650

<r²>	26.695
(<r²>)^1/2	5.167

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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