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	hartrees
Energy at 0K	-94.576050
Energy at 298.15K	-94.578968
HF Energy	-94.576050
Nuclear repulsion energy	32.977471

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'	3610	3610	26.06	68.02	0.70	0.82
2	A'	3471	3471	3.63	237.55	0.22	0.36
3	A'	2947	2947	90.30	139.76	0.51	0.68
4	A'	1696	1696	23.29	13.52	0.66	0.79
5	A'	1457	1457	16.69	11.18	0.19	0.32
6	A'	1395	1395	18.23	5.40	0.14	0.24
7	A'	1084	1084	21.21	6.13	0.35	0.52
8	A"	1158	1158	10.79	0.33	0.75	0.86
9	A"	811	811	153.22	0.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.522
H3	-0.998	1.095
H4	-0.759	-1.119
H5	0.942	-1.020

	C1	N2	H3	H4	H5
C1		1.3053	1.1056	2.0721	2.0055
N2	1.3053		1.9341	1.0158	1.0098
H3	1.1056	1.9341		2.2270	2.8695
H4	2.0721	1.0158	2.2270		1.7036
H5	2.0055	1.0098	2.8695	1.7036

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	125.984		C1	N2	H5	119.515
N2	C1	H3	106.393		H4	N2	H5	114.500

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/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	-0.109
2	N	-0.392
3	H	0.134
4	H	0.175
5	H	0.192

	x	y	z	Total
	-1.405	-3.289	0.000	3.577
CHELPG
AIM
ESP

	x	y	z
x	3.556	0.061	0.000
y	0.061	4.596	0.000
z	0.000	0.000	2.860

<r²>	19.907
(<r²>)^1/2	4.462

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)