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	hartrees
Energy at 0K	-94.417964
Energy at 298.15K	-94.420915
HF Energy	-94.417964
Nuclear repulsion energy	32.557121

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'	3620	3460	12.08	105.32	0.56	0.72
2	A'	3414	3263	28.07	345.18	0.29	0.45
3	A'	2873	2746	153.30	142.85	0.48	0.65
4	A'	1766	1689	10.22	35.21	0.41	0.58
5	A'	1457	1392	29.26	10.23	0.69	0.82
6	A'	1390	1329	22.51	3.37	0.41	0.58
7	A'	1094	1046	31.32	15.69	0.59	0.74
8	A"	1157	1106	14.54	1.13	0.75	0.86
9	A"	946	905	286.13	1.14	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.796
N2	0.062	-0.531
H3	-1.013	1.113
H4	-0.746	-1.156
H5	0.949	-1.018

	C1	N2	H3	H4	H5
C1		1.3268	1.1206	2.1128	2.0192
N2	1.3268		1.9639	1.0217	1.0119
H3	1.1206	1.9639		2.2847	2.8964
H4	2.1128	1.0217	2.2847		1.7005
H5	2.0192	1.0119	2.8964	1.7005

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.742		C1	N2	H5	118.780
N2	C1	H3	106.425		H4	N2	H5	113.478

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-0.050
2	N	-0.725
3	H	0.089
4	H	0.324
5	H	0.362

	x	y	z	Total
	-1.331	-3.240	0.000	3.503
CHELPG
AIM
ESP

	x	y	z
x	2.703	-0.234	0.000
y	-0.234	3.752	0.000
z	0.000	0.000	1.338

<r²>	19.956
(<r²>)^1/2	4.467

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)