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	hartrees
Energy at 0K	-96.135307
Energy at 298.15K	-96.142543
HF Energy	-95.737392
Nuclear repulsion energy	48.098656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	2944	39.08
2	A₁	3156	2909	28.31
3	A₁	1473	1357	7.05
4	A₁	1416	1306	673.00
5	A₁	1015	935	59.62
6	A₂	313	289	0.00
7	E	3255	3000	23.77
7	E	3255	3000	23.77
8	E	3153	2906	1416.89
8	E	3153	2906	1416.89
9	E	1591	1467	167.87
9	E	1591	1467	167.87
10	E	1546	1425	11.56
10	E	1546	1425	11.56
11	E	1301	1200	4.41
11	E	1301	1200	4.41
12	E	914	843	121.74
12	E	914	843	121.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.788
N2	0.000	0.000	0.698
H3	0.000	-1.027	-1.127
H4	-0.889	0.513	-1.127
H5	0.889	0.513	-1.127
H6	0.000	0.959	1.076
H7	-0.831	-0.480	1.076
H8	0.831	-0.480	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4855	1.0812	1.0812	1.0812	2.0960	2.0960	2.0960
N2	1.4855		2.0938	2.0938	2.0938	1.0310	1.0310	1.0310
H3	1.0812	2.0938		1.7780	1.7780	2.9659	2.4171	2.4171
H4	1.0812	2.0938	1.7780		1.7780	2.4171	2.4171	2.9659
H5	1.0812	2.0938	1.7780	1.7780		2.4171	2.9659	2.4171
H6	2.0960	1.0310	2.9659	2.4171	2.4171		1.6614	1.6614
H7	2.0960	1.0310	2.4171	2.4171	2.9659	1.6614		1.6614
H8	2.0960	1.0310	2.4171	2.9659	2.4171	1.6614	1.6614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.512	C1	N2	H7	111.512
C1	N2	H8	111.512	N2	C1	H3	108.295
N2	C1	H4	108.295	N2	C1	H5	108.295
H3	C1	H4	110.622	H3	C1	H5	110.622
H4	C1	H5	110.622	H6	N2	H7	107.355
H6	N2	H8	107.355	H7	N2	H8	107.356

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

using model chemistry: CISD/6-311+G(3df,2p)

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

using model chemistry: CISD/6-311+G(3df,2p)

States and conformations

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