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	hartrees
Energy at 0K	-18.440086
Energy at 298.15K
HF Energy	-18.440086
Nuclear repulsion energy	30.384766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	2926	68.43
2	A₁	2605	2348	746.72
3	A₁	1479	1333	44.94
4	A₁	1293	1165	2.46
5	A₁	740	667	73.27
6	A₂	248	224	0.00
7	E	3347	3017	6.36
7	E	3347	3017	6.36
8	E	1620	1461	0.16
8	E	1620	1461	0.16
9	E	1404	1266	392.61
9	E	1404	1266	392.61
10	E	1254	1131	188.28
10	E	1254	1131	188.28
11	E	948	854	29.09
11	E	948	854	29.09
12	E	1927i	1737i	15844.61
12	E	1927i	1737i	15844.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.811
N2	0.000	0.000	0.723
H3	0.000	-1.027	-1.161
H4	-0.889	0.513	-1.161
H5	0.889	0.513	-1.161
H6	0.000	1.008	1.097
H7	-0.873	-0.504	1.097
H8	0.873	-0.504	1.097

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5341	1.0850	1.0850	1.0850	2.1577	2.1577	2.1577
N2	1.5341		2.1459	2.1459	2.1459	1.0749	1.0749	1.0749
H3	1.0850	2.1459		1.7787	1.7787	3.0396	2.4768	2.4768
H4	1.0850	2.1459	1.7787		1.7787	2.4768	2.4768	3.0396
H5	1.0850	2.1459	1.7787	1.7787		2.4768	3.0396	2.4768
H6	2.1577	1.0749	3.0396	2.4768	2.4768		1.7455	1.7455
H7	2.1577	1.0749	2.4768	2.4768	3.0396	1.7455		1.7455
H8	2.1577	1.0749	2.4768	3.0396	2.4768	1.7455	1.7455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.354	C1	N2	H7	110.354
C1	N2	H8	110.354	N2	C1	H3	108.829
N2	C1	H4	108.829	N2	C1	H5	108.829
H3	C1	H4	110.105	H3	C1	H5	110.105
H4	C1	H5	110.105	H6	N2	H7	108.574
H6	N2	H8	108.574	H7	N2	H8	108.574

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

using model chemistry: HF/CEP-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	-0.597
2	N	-0.014
3	H	0.162
4	H	0.162
5	H	0.162
6	H	0.042
7	H	0.042
8	H	0.042

	x	y	z	Total
	0.000	0.000	-0.518	0.518
CHELPG
AIM
ESP

<r²>	29.658
(<r²>)^1/2	5.446

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

using model chemistry: HF/CEP-31G

States and conformations

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