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	hartrees
Energy at 0K	-94.506014
Energy at 298.15K	-94.508900
HF Energy	-94.506014
Nuclear repulsion energy	32.538602

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'	3444	3376	2.65	118.18	0.50	0.67
2	A'	3202	3140	82.71	442.13	0.32	0.48
3	A'	2811	2756	160.71	140.10	0.53	0.69
4	A'	1693	1660	1.78	41.12	0.41	0.58
5	A'	1415	1387	19.32	10.28	0.68	0.81
6	A'	1362	1335	8.51	1.30	0.47	0.64
7	A'	1058	1037	31.44	20.31	0.50	0.67
8	A"	1143	1120	9.71	1.42	0.75	0.86
9	A"	770	754	180.35	1.54	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.797
N2	0.063	-0.525
H3	-1.023	1.083
H4	-0.746	-1.169
H5	0.955	-1.022

	C1	N2	H3	H4	H5
C1		1.3227	1.1224	2.1263	2.0267
N2	1.3227		1.9401	1.0337	1.0212
H3	1.1224	1.9401		2.2688	2.8884
H4	2.1263	1.0337	2.2688		1.7071
H5	2.0267	1.0212	2.8884	1.7071

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.521		C1	N2	H5	119.136
N2	C1	H3	104.731		H4	N2	H5	112.343

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/6-31G*

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	-0.145
2	N	-0.599
3	H	0.093
4	H	0.306
5	H	0.345

	x	y	z	Total
	-1.075	-3.152	0.000	3.330
CHELPG
AIM
ESP

	x	y	z
x	2.862	-0.179	0.000
y	-0.179	3.942	0.000
z	0.000	0.000	1.425

<r²>	19.838
(<r²>)^1/2	4.454

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)