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	hartrees
Energy at 0K	-17.278073
Energy at 298.15K	-17.280976
HF Energy	-17.278073
Nuclear repulsion energy	19.234539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3610	3610	14.85	89.13	0.68	0.81
2	A'	3451	3451	7.62	257.11	0.26	0.41
3	A'	2935	2935	144.38	168.69	0.48	0.65
4	A'	1723	1723	17.80	20.04	0.49	0.66
5	A'	1424	1424	26.79	10.36	0.51	0.68
6	A'	1401	1401	18.98	2.89	0.22	0.36
7	A'	1080	1080	21.42	7.57	0.57	0.72
8	A"	1162	1162	13.08	2.22	0.75	0.86
9	A"	784	784	205.26	0.37	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.795
N2	0.063	-0.529
H3	-1.011	1.089
H4	-0.756	-1.140
H5	0.951	-1.021

	C1	N2	H3	H4	H5
C1		1.3241	1.1136	2.1018	2.0215
N2	1.3241		1.9417	1.0221	1.0152
H3	1.1136	1.9417		2.2437	2.8810
H4	2.1018	1.0221	2.2437		1.7112
H5	2.0215	1.0152	2.8810	1.7112

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.755		C1	N2	H5	118.982
N2	C1	H3	105.279		H4	N2	H5	114.263

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/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	-0.266
2	N	-0.509
3	H	0.094
4	H	0.322
5	H	0.359

	x	y	z	Total
	-1.398	-3.373	0.000	3.651
CHELPG
AIM
ESP

	x	y	z
x	3.085	-0.151	0.000
y	-0.151	4.000	0.000
z	0.000	0.000	1.903

<r²>	18.093
(<r²>)^1/2	4.254

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/CEP-121G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)