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	hartrees
Energy at 0K	-94.566438
Energy at 298.15K	-94.569359
HF Energy	-94.566438
Nuclear repulsion energy	32.976876

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'	3589	3430	30.74	78.16	0.67	0.80
2	A'	3450	3297	1.08	260.70	0.20	0.33
3	A'	2970	2838	84.46	148.10	0.44	0.61
4	A'	1688	1614	25.51	12.37	0.64	0.78
5	A'	1456	1391	19.01	11.86	0.18	0.30
6	A'	1394	1333	15.06	6.45	0.08	0.14
7	A'	1077	1029	20.47	7.02	0.26	0.41
8	A"	1160	1109	11.08	0.12	0.75	0.86
9	A"	821	785	149.60	0.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.522
H3	-0.998	1.090
H4	-0.759	-1.119
H5	0.942	-1.020

	C1	N2	H3	H4	H5
C1		1.3055	1.1038	2.0732	2.0063
N2	1.3055		1.9294	1.0164	1.0107
H3	1.1038	1.9294		2.2223	2.8661
H4	2.0732	1.0164	2.2223		1.7048
H5	2.0063	1.0107	2.8661	1.7048

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.013		C1	N2	H5	119.497
N2	C1	H3	106.113		H4	N2	H5	114.489

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: M06-2X/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	-0.595
2	N	-0.179
3	H	0.348
4	H	0.190
5	H	0.237

	x	y	z	Total
	-1.344	-3.200	0.000	3.471
CHELPG
AIM
ESP

	x	y	z
x	3.670	0.036	0.000
y	0.036	4.643	0.000
z	0.000	0.000	2.921

<r²>	19.941
(<r²>)^1/2	4.466

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)