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	hartrees
Energy at 0K	-19.035723
Energy at 298.15K	-19.042803
HF Energy	-19.035723
Nuclear repulsion energy	30.362535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3018	2941	89.59
2	A₁	2702	2633	61.31
3	A₁	1376	1341	54.18
4	A₁	1295	1262	185.40
5	A₁	872	850	26.70
6	A₂	257	250	0.00
7	E	3138	3058	14.37
7	E	3138	3058	14.35
8	E	2410	2348	2954.23
8	E	2410	2348	2953.89
9	E	1492	1454	1.67
9	E	1492	1454	1.67
10	E	1387	1351	0.00
10	E	1387	1351	0.00
11	E	1217	1186	41.75
11	E	1217	1186	41.76
12	E	874	851	62.91
12	E	874	851	62.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.816
N2	0.000	0.000	0.722
H3	0.000	-1.041	-1.148
H4	-0.902	0.521	-1.148
H5	0.902	0.521	-1.148
H6	0.000	1.004	1.095
H7	-0.869	-0.502	1.095
H8	0.869	-0.502	1.095

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5380	1.0929	1.0929	1.0929	2.1580	2.1580	2.1580
N2	1.5380		2.1406	2.1406	2.1406	1.0704	1.0704	1.0704
H3	1.0929	2.1406		1.8033	1.8033	3.0349	2.4650	2.4650
H4	1.0929	2.1406	1.8033		1.8033	2.4650	2.4650	3.0349
H5	1.0929	2.1406	1.8033	1.8033		2.4650	3.0349	2.4650
H6	2.1580	1.0704	3.0349	2.4650	2.4650		1.7382	1.7382
H7	2.1580	1.0704	2.4650	2.4650	3.0349	1.7382		1.7382
H8	2.1580	1.0704	2.4650	3.0349	2.4650	1.7382	1.7382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.359	C1	N2	H7	110.359
C1	N2	H8	110.359	N2	C1	H3	107.704
N2	C1	H4	107.704	N2	C1	H5	107.704
H3	C1	H4	111.179	H3	C1	H5	111.179
H4	C1	H5	111.179	H6	N2	H7	108.569
H6	N2	H8	108.569	H7	N2	H8	108.569

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

using model chemistry: B3LYP/CEP-121G

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	-0.284
2	N	-0.211
3	H	0.135
4	H	0.135
5	H	0.135
6	H	0.030
7	H	0.030
8	H	0.030

	x	y	z	Total
	0.000	0.000	-1.374	1.374
CHELPG
AIM
ESP

	x	y	z
x	13.001	0.000	0.000
y	0.000	13.003	-0.001
z	0.000	-0.001	8.587

<r²>	30.605
(<r²>)^1/2	5.532

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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