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	hartrees
Energy at 0K	-94.565864
Energy at 298.15K	-94.568765
HF Energy	-94.565864
Nuclear repulsion energy	32.698980

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'	3529	3381	6.32	108.19	0.53	0.69
2	A'	3343	3203	35.24	323.80	0.29	0.45
3	A'	2898	2776	140.28	130.11	0.48	0.65
4	A'	1723	1650	5.64	32.04	0.42	0.59
5	A'	1443	1382	18.31	9.11	0.60	0.75
6	A'	1404	1345	12.90	3.65	0.55	0.71
7	A'	1079	1034	26.20	13.59	0.53	0.69
8	A"	1161	1112	9.89	1.17	0.75	0.86
9	A"	786	753	189.27	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.793
N2	0.062	-0.524
H3	-1.013	1.086
H4	-0.748	-1.154
H5	0.950	-1.021

	C1	N2	H3	H4	H5
C1		1.3168	1.1144	2.1087	2.0194
N2	1.3168		1.9358	1.0265	1.0172
H3	1.1144	1.9358		2.2554	2.8794
H4	2.1087	1.0265	2.2554		1.7030
H5	2.0194	1.0172	2.8794	1.7030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.863		C1	N2	H5	119.264
N2	C1	H3	105.242		H4	N2	H5	112.873

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/6-31G*

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	-0.134
2	N	-0.615
3	H	0.089
4	H	0.313
5	H	0.347

	x	y	z	Total
	-1.143	-3.163	0.000	3.364
CHELPG
AIM
ESP

	x	y	z
x	2.757	-0.227	0.000
y	-0.227	3.745	0.000
z	0.000	0.000	1.412

<r²>	19.739
(<r²>)^1/2	4.443

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)