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	hartrees
Energy at 0K	-94.490740
Energy at 298.15K	-94.493672
HF Energy	-94.490740
Nuclear repulsion energy	32.962781

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	3435	17.71	101.82	0.63	0.78
2	A'	3418	3280	14.65	343.10	0.28	0.43
3	A'	2944	2825	104.41	166.63	0.52	0.68
4	A'	1710	1640	13.39	24.65	0.48	0.65
5	A'	1466	1407	11.06	7.24	0.36	0.53
6	A'	1402	1346	22.93	3.95	0.73	0.84
7	A'	1085	1041	23.64	11.37	0.51	0.68
8	A"	1170	1123	10.68	2.05	0.75	0.86
9	A"	852	817	178.95	0.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.520
H3	-1.003	1.090
H4	-0.755	-1.130
H5	0.944	-1.018

	C1	N2	H3	H4	H5
C1		1.3039	1.1084	2.0808	2.0052
N2	1.3039		1.9309	1.0196	1.0121
H3	1.1084	1.9309		2.2340	2.8692
H4	2.0808	1.0196	2.2340		1.7026
H5	2.0052	1.0121	2.8692	1.7026

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.722		C1	N2	H5	119.420
N2	C1	H3	106.063		H4	N2	H5	113.858

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/TZVP

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	-0.203
2	N	-0.326
3	H	0.057
4	H	0.211
5	H	0.260

	x	y	z	Total
	-1.392	-3.295	0.000	3.577
CHELPG
AIM
ESP

	x	y	z
x	3.230	-0.075	0.000
y	-0.075	4.314	0.000
z	0.000	0.000	2.136

<r²>	19.866
(<r²>)^1/2	4.457

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)