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	hartrees
Energy at 0K	-94.613996
Energy at 298.15K	-94.616909
HF Energy	-94.613996
Nuclear repulsion energy	32.926537

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'	3536	3418	15.48	94.31	0.60	0.75
2	A'	3370	3258	22.86	339.62	0.27	0.43
3	A'	2912	2815	110.79	166.20	0.48	0.65
4	A'	1687	1631	11.48	23.79	0.45	0.62
5	A'	1438	1391	13.49	7.92	0.35	0.52
6	A'	1388	1342	12.64	1.19	0.75	0.86
7	A'	1076	1040	25.50	10.33	0.43	0.60
8	A"	1160	1121	12.19	1.25	0.75	0.86
9	A"	801	775	147.56	0.65	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.522
H3	-0.998	1.098
H4	-0.757	-1.129
H5	0.942	-1.021

	C1	N2	H3	H4	H5
C1		1.3065	1.1061	2.0816	2.0086
N2	1.3065		1.9362	1.0196	1.0116
H3	1.1061	1.9362		2.2398	2.8733
H4	2.0816	1.0196	2.2398		1.7026
H5	2.0086	1.0116	2.8733	1.7026

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.535		C1	N2	H5	119.559
N2	C1	H3	106.448		H4	N2	H5	113.906

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/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	-0.286
2	N	-0.109
3	H	0.069
4	H	0.148
5	H	0.178

	x	y	z	Total
	-1.287	-3.198	0.000	3.447
CHELPG
AIM
ESP

	x	y	z
x	3.260	-0.085	0.000
y	-0.085	4.240	0.000
z	0.000	0.000	2.155

<r²>	19.847
(<r²>)^1/2	4.455

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)