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	hartrees
Energy at 0K	-94.542151
Energy at 298.15K
HF Energy	-94.412098
Nuclear repulsion energy	32.954215

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'	3587	3440	26.98	80.91	0.67	0.80
2	A'	3436	3295	6.97	334.37	0.23	0.37
3	A'	2969	2848	91.59	163.14	0.48	0.65
4	A'	1698	1628	17.30	15.08	0.61	0.76
5	A'	1440	1381	16.91	15.34	0.13	0.23
6	A'	1396	1339	11.91	7.53	0.16	0.28
7	A'	1078	1034	22.09	9.91	0.25	0.40
8	A"	1165	1117	10.48	0.14	0.75	0.86
9	A"	806	773	147.29	0.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.785
N2	0.062	-0.523
H3	-0.994	1.096
H4	-0.759	-1.121
H5	0.941	-1.019

	C1	N2	H3	H4	H5
C1		1.3083	1.1009	2.0750	2.0066
N2	1.3083		1.9331	1.0154	1.0086
H3	1.1009	1.9331		2.2289	2.8662
H4	2.0750	1.0154	2.2289		1.7024
H5	2.0066	1.0086	2.8662	1.7024

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.035		C1	N2	H5	119.449
N2	C1	H3	106.401		H4	N2	H5	114.516

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP=FULLultrafine/aug-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	-0.583
2	N	-0.090
3	H	0.333
4	H	0.144
5	H	0.195

	x	y	z	Total
	-1.356	-3.245	0.000	3.517
CHELPG
AIM
ESP

	x	y	z
x	3.764	0.097	0.002
y	0.097	4.791	0.002
z	0.002	0.002	3.004

<r²>	20.036
(<r²>)^1/2	4.476

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)