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	hartrees
Energy at 0K	-94.572741
Energy at 298.15K	-94.575656
HF Energy	-94.572741
Nuclear repulsion energy	32.960347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3417	15.78
2	A'	3393	3262	19.53
3	A'	2920	2807	106.73
4	A'	1684	1619	12.27
5	A'	1452	1397	10.44
6	A'	1384	1331	15.75
7	A'	1072	1030	25.72
8	A"	1161	1117	12.19
9	A"	808	777	147.21

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.521
H3	-1.001	1.094
H4	-0.756	-1.128
H5	0.943	-1.019

	C1	N2	H3	H4	H5
C1		1.3043	1.1080	2.0795	2.0059
N2	1.3043		1.9337	1.0191	1.0116
H3	1.1080	1.9337		2.2360	2.8712
H4	2.0795	1.0191	2.2360		1.7022
H5	2.0059	1.0116	2.8712	1.7022

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.592		C1	N2	H5	119.494
N2	C1	H3	106.286		H4	N2	H5	113.914

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/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	-0.284
2	N	-0.093
3	H	0.059
4	H	0.144
5	H	0.174

	x	y	z	Total
	-1.296	-3.232	0.000	3.482
CHELPG
AIM
ESP

	x	y	z
x	3.253	-0.086	0.000
y	-0.086	4.213	0.000
z	0.000	0.000	2.165

<r²>	19.745
(<r²>)^1/2	4.444

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)