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	hartrees
Energy at 0K	-94.500653
Energy at 298.15K	-94.503571
HF Energy	-94.500653
Nuclear repulsion energy	32.996807

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'	3576	3436	17.89	92.62	0.62	0.77
2	A'	3418	3285	16.10	308.32	0.26	0.41
3	A'	2933	2819	105.70	160.78	0.47	0.64
4	A'	1689	1624	13.65	21.11	0.47	0.64
5	A'	1463	1406	9.91	7.84	0.29	0.45
6	A'	1388	1334	16.52	1.81	0.74	0.85
7	A'	1075	1033	25.43	9.00	0.43	0.60
8	A"	1165	1120	12.23	1.27	0.75	0.86
9	A"	812	781	149.00	0.54	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.520
H3	-1.000	1.094
H4	-0.756	-1.126
H5	0.942	-1.018

	C1	N2	H3	H4	H5
C1		1.3027	1.1075	2.0760	2.0035
N2	1.3027		1.9325	1.0177	1.0105
H3	1.1075	1.9325		2.2327	2.8690
H4	2.0760	1.0177	2.2327		1.7011
H5	2.0035	1.0105	2.8690	1.7011

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.497		C1	N2	H5	119.486
N2	C1	H3	106.322		H4	N2	H5	114.017

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.292
2	N	-0.098
3	H	0.064
4	H	0.148
5	H	0.178

	x	y	z	Total
	-1.304	-3.234	0.000	3.487
CHELPG
AIM
ESP

	x	y	z
x	3.239	-0.091	0.000
y	-0.091	4.187	0.000
z	0.000	0.000	2.159

<r²>	19.738
(<r²>)^1/2	4.443

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)