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	hartrees
Energy at 0K	-94.555839
Energy at 298.15K	-94.558732
HF Energy	-94.555839
Nuclear repulsion energy	32.776471

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'	3462	3462	12.81	102.06	0.66	0.79
2	A'	3264	3264	59.21	618.69	0.29	0.45
3	A'	2850	2850	114.16	201.17	0.58	0.74
4	A'	1654	1654	6.98	29.68	0.57	0.72
5	A'	1403	1403	14.24	14.23	0.09	0.17
6	A'	1346	1346	10.24	25.76	0.21	0.35
7	A'	1051	1051	27.96	24.29	0.25	0.40
8	A"	1135	1135	9.63	0.18	0.75	0.86
9	A"	786	786	135.19	0.84	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.524
H3	-1.006	1.099
H4	-0.757	-1.139
H5	0.946	-1.024

	C1	N2	H3	H4	H5
C1		1.3124	1.1126	2.0948	2.0160
N2	1.3124		1.9430	1.0251	1.0151
H3	1.1126	1.9430		2.2518	2.8836
H4	2.0948	1.0251	2.2518		1.7075
H5	2.0160	1.0151	2.8836	1.7075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.877		C1	N2	H5	119.485
N2	C1	H3	106.202		H4	N2	H5	113.638

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/daug-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	-1.141
2	N	-0.232
3	H	0.607
4	H	0.146
5	H	0.619

	x	y	z	Total
	-1.265	-3.196	0.000	3.437
CHELPG
AIM
ESP

	x	y	z
x	4.085	0.231	0.000
y	0.231	5.258	0.000
z	0.000	0.000	3.144

<r²>	20.144
(<r²>)^1/2	4.488

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)