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	hartrees
Energy at 0K	-96.349224
Energy at 298.15K	-96.356381
HF Energy	-96.349224
Nuclear repulsion energy	47.749663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3100	2951	60.64
2	A₁	2996	2852	24.77
3	A₁	1402	1334	68.56
4	A₁	1319	1255	730.86
5	A₁	960	914	94.68
6	A₂	296	282	0.00
7	E	3205	3051	1.29
7	E	3205	3051	1.30
8	E	2901	2761	1562.62
8	E	2901	2761	1564.33
9	E	1500	1427	132.53
9	E	1500	1427	132.62
10	E	1487	1415	2.07
10	E	1487	1415	2.10
11	E	1241	1182	2.22
11	E	1241	1182	2.23
12	E	883	841	88.68
12	E	883	841	88.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.790
N2	0.000	0.000	0.700
H3	0.000	-1.034	-1.133
H4	-0.895	0.517	-1.133
H5	0.895	0.517	-1.133
H6	0.000	0.973	1.082
H7	-0.843	-0.487	1.082
H8	0.843	-0.487	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4900	1.0893	1.0893	1.0893	2.1100	2.1100	2.1100
N2	1.4900		2.1042	2.1042	2.1042	1.0456	1.0456	1.0456
H3	1.0893	2.1042		1.7909	1.7909	2.9890	2.4322	2.4322
H4	1.0893	2.1042	1.7909		1.7909	2.4322	2.4322	2.9890
H5	1.0893	2.1042	1.7909	1.7909		2.4322	2.9890	2.4322
H6	2.1100	1.0456	2.9890	2.4322	2.4322		1.6857	1.6857
H7	2.1100	1.0456	2.4322	2.4322	2.9890	1.6857		1.6857
H8	2.1100	1.0456	2.4322	2.9890	2.4322	1.6857	1.6857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.441	C1	N2	H7	111.441
C1	N2	H8	111.441	N2	C1	H3	108.335
N2	C1	H4	108.335	N2	C1	H5	108.335
H3	C1	H4	110.583	H3	C1	H5	110.583
H4	C1	H5	110.583	H6	N2	H7	107.432
H6	N2	H8	107.432	H7	N2	H8	107.432

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

using model chemistry: mPW1PW91/6-31+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	-1.819
2	N	0.237
3	H	0.210
4	H	0.210
5	H	0.210
6	H	0.317
7	H	0.317
8	H	0.317

	x	y	z	Total
	0.000	0.000	-1.478	1.478
CHELPG
AIM
ESP

	x	y	z
x	27.101	0.000	0.000
y	0.000	27.067	0.006
z	0.000	0.006	17.217

<r²>	33.719
(<r²>)^1/2	5.807

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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