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	hartrees
Energy at 0K	-94.614124
Energy at 298.15K	-94.617036
HF Energy	-94.614124
Nuclear repulsion energy	32.930864

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'	3543	3543	21.49	76.02	0.67	0.80
2	A'	3383	3383	18.16	352.05	0.26	0.41
3	A'	2923	2923	91.54	152.63	0.56	0.71
4	A'	1687	1687	14.77	19.78	0.60	0.75
5	A'	1437	1437	15.15	11.23	0.20	0.33
6	A'	1383	1383	14.46	7.64	0.22	0.36
7	A'	1073	1073	24.02	10.37	0.36	0.52
8	A"	1154	1154	10.43	0.32	0.75	0.86
9	A"	807	807	147.31	0.30	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.522
H3	-0.996	1.102
H4	-0.759	-1.127
H5	0.942	-1.023

	C1	N2	H3	H4	H5
C1		1.3061	1.1049	2.0796	2.0098
N2	1.3061		1.9384	1.0198	1.0120
H3	1.1049	1.9384		2.2411	2.8758
H4	2.0796	1.0198	2.2411		1.7037
H5	2.0098	1.0120	2.8758	1.7037

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.347		C1	N2	H5	119.682
N2	C1	H3	106.727		H4	N2	H5	113.971

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	C	-0.095
2	N	-0.421
3	H	0.137
4	H	0.174
5	H	0.206

	x	y	z	Total
	-1.365	-3.228	0.000	3.505
CHELPG
AIM
ESP

	x	y	z
x	3.615	0.116	0.000
y	0.116	4.783	0.000
z	0.000	0.000	2.866

<r²>	20.054
(<r²>)^1/2	4.478

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)