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	hartrees
Energy at 0K	-94.426056
Energy at 298.15K	-94.429007
HF Energy	-94.426056
Nuclear repulsion energy	32.558359

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'	3616	3459	11.47	106.55	0.56	0.72
2	A'	3406	3259	31.05	354.19	0.30	0.46
3	A'	2870	2745	155.20	143.46	0.49	0.65
4	A'	1766	1689	9.69	36.06	0.41	0.58
5	A'	1456	1393	29.60	10.29	0.70	0.82
6	A'	1389	1328	21.82	3.16	0.41	0.58
7	A'	1094	1046	31.68	16.28	0.59	0.74
8	A"	1157	1107	14.32	1.13	0.75	0.86
9	A"	945	904	284.75	1.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.796
N2	0.062	-0.531
H3	-1.012	1.113
H4	-0.746	-1.156
H5	0.949	-1.018

	C1	N2	H3	H4	H5
C1		1.3267	1.1204	2.1130	2.0192
N2	1.3267		1.9641	1.0218	1.0118
H3	1.1204	1.9641		2.2854	2.8965
H4	2.1130	1.0218	2.2854		1.7002
H5	2.0192	1.0118	2.8965	1.7002

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.758		C1	N2	H5	118.793
N2	C1	H3	106.454		H4	N2	H5	113.449

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/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	-0.049
2	N	-0.720
3	H	0.087
4	H	0.321
5	H	0.360

	x	y	z	Total
	-1.324	-3.233	0.000	3.494
CHELPG
AIM
ESP

	x	y	z
x	2.708	-0.232	0.000
y	-0.232	3.763	0.000
z	0.000	0.000	1.337

<r²>	19.955
(<r²>)^1/2	4.467

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/6-31G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)