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	hartrees
Energy at 0K	-96.255406
Energy at 298.15K	-96.262308
HF Energy	-96.255406
Nuclear repulsion energy	47.007849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3114	2949	28.78
2	A₁	2549	2414	23.15
3	A₁	1345	1273	89.37
4	A₁	1145	1084	22.22
5	A₁	858	812	27.27
6	A₂	288	273	0.00
7	E	3212	3041	9.74
7	E	3211	3041	9.64
8	E	1673	1584	2914.15
8	E	1673	1584	2908.97
9	E	1502	1422	76.92
9	E	1502	1422	76.65
10	E	1242	1176	0.23
10	E	1242	1176	0.22
11	E	911	863	578.94
11	E	911	863	579.31
12	E	792	750	1276.85
12	E	792	750	1276.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.709
H3	0.000	-1.038	-1.128
H4	-0.899	0.519	-1.128
H5	0.899	0.519	-1.128
H6	0.000	1.030	1.069
H7	-0.892	-0.515	1.069
H8	0.892	-0.515	1.069

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5070	1.0898	1.0898	1.0898	2.1325	2.1325	2.1325
N2	1.5070		2.1107	2.1107	2.1107	1.0913	1.0913	1.0913
H3	1.0898	2.1107		1.7987	1.7987	3.0182	2.4290	2.4290
H4	1.0898	2.1107	1.7987		1.7987	2.4290	2.4290	3.0182
H5	1.0898	2.1107	1.7987	1.7987		2.4290	3.0182	2.4290
H6	2.1325	1.0913	3.0182	2.4290	2.4290		1.7842	1.7842
H7	2.1325	1.0913	2.4290	2.4290	3.0182	1.7842		1.7842
H8	2.1325	1.0913	2.4290	3.0182	2.4290	1.7842	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.273	C1	N2	H7	109.273
C1	N2	H8	109.273	N2	C1	H3	107.656
N2	C1	H4	107.656	N2	C1	H5	107.656
H3	C1	H4	111.224	H3	C1	H5	111.224
H4	C1	H5	111.224	H6	N2	H7	109.668
H6	N2	H8	109.668	H7	N2	H8	109.668

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

using model chemistry: M06-2X/6-31G*

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	-0.382
2	N	-0.405
3	H	0.175
4	H	0.175
5	H	0.175
6	H	0.087
7	H	0.087
8	H	0.087

	x	y	z	Total
	0.000	0.000	-1.121	1.121
CHELPG
AIM
ESP

	x	y	z
x	8.480	0.000	0.000
y	0.000	8.488	-0.010
z	0.000	-0.010	5.019

<r²>	31.583
(<r²>)^1/2	5.620

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

using model chemistry: M06-2X/6-31G*

States and conformations

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