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	hartrees
Energy at 0K	-93.293008
Energy at 298.15K	-93.295851
HF Energy	-93.293008
Nuclear repulsion energy	31.984031

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'	3776	3334	7.64	50.46	0.65	0.79
2	A'	3539	3125	3.77	102.27	0.19	0.32
3	A'	3116	2751	63.42	47.12	0.41	0.58
4	A'	1818	1605	9.69	18.85	0.64	0.78
5	A'	1523	1345	16.76	7.83	0.72	0.83
6	A'	1455	1285	12.32	6.75	0.17	0.30
7	A'	1097	969	12.70	4.64	0.55	0.71
8	A"	1203	1062	3.41	0.81	0.75	0.86
9	A"	787	695	173.09	1.24	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.817
N2	0.064	-0.529
H3	-1.055	1.042
H4	-0.751	-1.196
H5	0.972	-1.045

	C1	N2	H3	H4	H5
C1		1.3470	1.1413	2.1723	2.0718
N2	1.3470		1.9292	1.0529	1.0442
H3	1.1413	1.9292		2.2589	2.9093
H4	2.1723	1.0529	2.2589		1.7299
H5	2.0718	1.0442	2.9093	1.7299

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.285		C1	N2	H5	119.558
N2	C1	H3	101.352		H4	N2	H5	111.157

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/STO-3G

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	-0.070
2	N	-0.349
3	H	0.008
4	H	0.197
5	H	0.215

	x	y	z	Total
	-0.871	-2.923	0.000	3.050
CHELPG
AIM
ESP

	x	y	z
x	1.481	-0.276	0.000
y	-0.276	2.166	0.000
z	0.000	0.000	0.641

<r²>	19.508
(<r²>)^1/2	4.417

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)