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	hartrees
Energy at 0K	-94.504834
Energy at 298.15K	-94.507751
HF Energy	-94.504834
Nuclear repulsion energy	33.010011

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'	3579	3579	18.70	96.38	0.64	0.78
2	A'	3425	3425	14.32	327.21	0.26	0.41
3	A'	2943	2943	96.81	158.11	0.48	0.65
4	A'	1691	1691	14.30	21.26	0.49	0.66
5	A'	1464	1464	10.31	8.11	0.29	0.45
6	A'	1389	1389	17.47	2.67	0.59	0.74
7	A'	1075	1075	24.52	10.03	0.45	0.62
8	A"	1164	1164	10.84	1.74	0.75	0.86
9	A"	817	817	152.33	0.36	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.782
N2	0.063	-0.520
H3	-0.999	1.095
H4	-0.756	-1.124
H5	0.942	-1.019

	C1	N2	H3	H4	H5
C1		1.3019	1.1069	2.0744	2.0034
N2	1.3019		1.9329	1.0175	1.0105
H3	1.1069	1.9329		2.2324	2.8694
H4	2.0744	1.0175	2.2324		1.7013
H5	2.0034	1.0105	2.8694	1.7013

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.409		C1	N2	H5	119.545
N2	C1	H3	106.442		H4	N2	H5	114.046

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/Def2TZVPP

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	-0.243
2	N	-0.196
3	H	0.056
4	H	0.166
5	H	0.217

	x	y	z	Total
	-1.343	-3.271	0.000	3.536
CHELPG
AIM
ESP

	x	y	z
x	3.384	-0.057	0.000
y	-0.057	4.370	0.000
z	0.000	0.000	2.378

<r²>	19.827
(<r²>)^1/2	4.453

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)