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	hartrees
Energy at 0K	-93.299883
Energy at 298.15K	-93.302681
HF Energy	-93.299883
Nuclear repulsion energy	31.579827

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'	3602	3602	9.15	56.82	0.59	0.74
2	A'	3296	3296	35.01	142.33	0.23	0.37
3	A'	2953	2953	81.28	48.58	0.47	0.64
4	A'	1775	1775	2.61	22.51	0.60	0.75
5	A'	1490	1490	13.55	7.30	0.70	0.82
6	A'	1359	1359	8.48	5.48	0.17	0.29
7	A'	1060	1060	16.63	6.79	0.51	0.68
8	A"	1170	1170	3.16	0.90	0.75	0.86
9	A"	729	729	157.20	1.42	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.830
N2	0.064	-0.535
H3	-1.073	1.044
H4	-0.750	-1.228
H5	0.985	-1.051

	C1	N2	H3	H4	H5
C1		1.3643	1.1570	2.2126	2.0937
N2	1.3643		1.9456	1.0692	1.0552
H3	1.1570	1.9456		2.2949	2.9363
H4	2.2126	1.0692	2.2949		1.7434
H5	2.0937	1.0552	2.9363	1.7434

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	130.414		C1	N2	H5	119.291
N2	C1	H3	100.688		H4	N2	H5	110.295

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/STO-3G

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	-0.068
2	N	-0.324
3	H	0.002
4	H	0.183
5	H	0.206

	x	y	z	Total
	-0.768	-2.856	0.000	2.958
CHELPG
AIM
ESP

	x	y	z
x	1.551	-0.251	0.000
y	-0.251	2.326	0.000
z	0.000	0.000	0.644

<r²>	19.837
(<r²>)^1/2	4.454

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)