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	hartrees
Energy at 0K	-95.871043
Energy at 298.15K
HF Energy	-95.871043
Nuclear repulsion energy	41.876413

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'	3494	3363	1.20	107.80	0.11	0.19
2	A'	3080	2965	39.43	104.14	0.34	0.51
3	A'	2976	2864	112.10	160.35	0.17	0.30
4	A'	1681	1618	31.23	5.33	0.74	0.85
5	A'	1518	1461	7.99	13.90	0.71	0.83
6	A'	1470	1415	4.30	4.76	0.73	0.84
7	A'	1173	1129	8.19	0.88	0.75	0.86
8	A'	1059	1019	11.89	9.53	0.22	0.36
9	A'	838	806	183.24	2.81	0.67	0.80
10	A"	3583	3449	0.40	57.87	0.75	0.86
11	A"	3123	3005	36.07	73.10	0.75	0.86
12	A"	1537	1479	3.57	14.08	0.75	0.86
13	A"	1350	1299	0.00	2.33	0.75	0.86
14	A"	970	933	0.01	0.06	0.75	0.86
15	A"	317	306	42.70	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.049	0.708	0.000
N2	0.049	-0.759	0.000
H3	-0.947	1.179	0.000
H4	0.592	1.062	0.882
H5	0.592	1.062	-0.882
H6	-0.439	-1.119	-0.817
H7	-0.439	-1.119	0.817

	C1	N2	H3	H4	H5	H6	H7
C1		1.4673	1.1023	1.0940	1.0940	2.0598	2.0598
N2	1.4673		2.1792	2.0945	2.0945	1.0173	1.0173
H3	1.1023	2.1792		1.7777	1.7777	2.4908	2.4908
H4	1.0940	2.0945	1.7777		1.7638	2.9498	2.4123
H5	1.0940	2.0945	1.7777	1.7638		2.4123	2.9498
H6	2.0598	1.0173	2.4908	2.9498	2.4123		1.6340
H7	2.0598	1.0173	2.4908	2.4123	2.9498	1.6340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.692	C1	N2	H7	110.692
N2	C1	H3	115.271	N2	C1	H4	108.850
N2	C1	H5	108.850	H3	C1	H4	108.078
H3	C1	H5	108.078	H4	C1	H5	107.446
H6	N2	H7	106.850

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

using model chemistry: TPSSh/6-31+G**

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	-0.392
2	N	-0.612
3	H	0.127
4	H	0.152
5	H	0.152
6	H	0.287
7	H	0.287

	x	y	z	Total
	-1.421	0.440	0.000	1.487
CHELPG
AIM
ESP

	x	y	z
x	3.220	-0.081	0.000
y	-0.081	3.631	0.000
z	0.000	0.000	3.129

<r²>	26.935
(<r²>)^1/2	5.190

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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