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	hartrees
Energy at 0K	-96.277990
Energy at 298.15K	-96.285019
HF Energy	-96.277990
Nuclear repulsion energy	47.162064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	3085	39.18
2	A₁	2664	2664	5.18
3	A₁	1333	1333	73.25
4	A₁	1165	1165	86.68
5	A₁	921	921	50.23
6	A₂	296	296	0.00
7	E	3191	3191	6.10
7	E	3191	3191	5.82
8	E	1793	1793	8373.94
8	E	1793	1793	8352.66
9	E	1447	1447	35.71
9	E	1447	1447	35.42
10	E	1274	1274	0.68
10	E	1274	1274	0.65
11	E	1073	1073	1136.64
11	E	1073	1073	1137.55
12	E	811	811	711.78
12	E	811	811	713.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.795
N2	0.000	0.000	0.703
H3	0.000	-1.044	-1.131
H4	-0.904	0.522	-1.131
H5	0.904	0.522	-1.131
H6	0.000	1.012	1.080
H7	-0.876	-0.506	1.080
H8	0.876	-0.506	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4982	1.0965	1.0965	1.0965	2.1306	2.1306	2.1306
N2	1.4982		2.1104	2.1104	2.1104	1.0798	1.0798	1.0798
H3	1.0965	2.1104		1.8077	1.8077	3.0189	2.4383	2.4383
H4	1.0965	2.1104	1.8077		1.8078	2.4383	2.4383	3.0189
H5	1.0965	2.1104	1.8077	1.8078		2.4383	3.0189	2.4383
H6	2.1306	1.0798	3.0189	2.4383	2.4383		1.7527	1.7527
H7	2.1306	1.0798	2.4383	2.4383	3.0189	1.7527		1.7527
H8	2.1306	1.0798	2.4383	3.0189	2.4383	1.7527	1.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.421	C1	N2	H7	110.421
C1	N2	H8	110.421	N2	C1	H3	107.845
N2	C1	H4	107.845	N2	C1	H5	107.845
H3	C1	H4	111.048	H3	C1	H5	111.048
H4	C1	H5	111.048	H6	N2	H7	108.505
H6	N2	H8	108.505	H7	N2	H8	108.505

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)

using model chemistry: M06-2X/cc-pVDZ

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	-0.018
2	N	0.188
3	H	0.050
4	H	0.050
5	H	0.050
6	H	-0.107
7	H	-0.107
8	H	-0.107

	x	y	z
x	14.896	0.000	0.000
y	0.000	14.963	0.012
z	0.000	0.012	6.344

<r²>	31.875
(<r²>)^1/2	5.646

All results from a given calculation for CH3NH3 (methyl ammonium radical)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)