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	hartrees
Energy at 0K	-17.242635
Energy at 298.15K	-17.245558
HF Energy	-17.242635
Nuclear repulsion energy	18.884930

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'	3601	3487	10.49	87.57	0.63	0.77
2	A'	3402	3294	22.61	321.22	0.26	0.41
3	A'	2864	2773	182.59	143.08	0.51	0.67
4	A'	1712	1658	18.64	28.82	0.36	0.53
5	A'	1408	1364	55.16	14.25	0.75	0.86
6	A'	1333	1290	26.31	3.75	0.19	0.32
7	A'	1059	1025	34.11	16.85	0.68	0.81
8	A"	1117	1082	25.06	0.26	0.75	0.86
9	A"	899	871	282.49	0.35	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.815
N2	0.063	-0.544
H3	-1.027	1.120
H4	-0.753	-1.174
H5	0.965	-1.023

	C1	N2	H3	H4	H5
C1		1.3589	1.1313	2.1493	2.0468
N2	1.3589		1.9888	1.0305	1.0210
H3	1.1313	1.9888		2.3096	2.9249
H4	2.1493	1.0305	2.3096		1.7244
H5	2.0468	1.0210	2.9249	1.7244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.653		C1	N2	H5	117.951
N2	C1	H3	105.639		H4	N2	H5	114.395

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/CEP-31G

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	-0.299
2	N	-0.376
3	H	0.087
4	H	0.273
5	H	0.315

	x	y	z	Total
	-1.551	-3.311	0.000	3.656
CHELPG
AIM
ESP

	x	y	z
x	2.681	-0.116	0.000
y	-0.116	4.062	0.000
z	0.000	0.000	1.757

<r²>	18.576
(<r²>)^1/2	4.310

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)