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	hartrees
Energy at 0K	-93.225545
Energy at 298.15K	-93.228387
HF Energy	-93.225545
Nuclear repulsion energy	31.986501

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'	3794	3346	8.08	49.76	0.66	0.79
2	A'	3557	3137	4.00	101.88	0.19	0.32
3	A'	3136	2767	61.18	46.39	0.41	0.58
4	A'	1825	1610	9.10	18.71	0.64	0.78
5	A'	1529	1349	16.73	7.74	0.71	0.83
6	A'	1461	1288	11.27	6.35	0.17	0.28
7	A'	1105	974	13.19	4.67	0.55	0.71
8	A"	1209	1066	3.56	0.80	0.75	0.86
9	A"	779	687	173.49	1.16	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.817
N2	0.064	-0.530
H3	-1.053	1.046
H4	-0.752	-1.195
H5	0.972	-1.045

	C1	N2	H3	H4	H5
C1		1.3467	1.1408	2.1710	2.0717
N2	1.3467		1.9319	1.0529	1.0442
H3	1.1408	1.9319		2.2611	2.9115
H4	2.1710	1.0529	2.2611		1.7309
H5	2.0717	1.0442	2.9115	1.7309

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.175		C1	N2	H5	119.569
N2	C1	H3	101.590		H4	N2	H5	111.256

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/STO-3G

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	-0.078
2	N	-0.345
3	H	0.012
4	H	0.196
5	H	0.215

	x	y	z	Total
	-0.893	-2.923	0.000	3.056
CHELPG
AIM
ESP

	x	y	z
x	1.462	-0.273	0.000
y	-0.273	2.153	0.000
z	0.000	0.000	0.644

<r²>	19.506
(<r²>)^1/2	4.417

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)