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	hartrees
Energy at 0K	-94.469102
Energy at 298.15K	-94.472016
HF Energy	-94.469102
Nuclear repulsion energy	32.896274

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'	3590	3438	13.22	94.60	0.59	0.74
2	A'	3434	3289	12.70	252.79	0.25	0.41
3	A'	2926	2802	107.13	121.35	0.44	0.61
4	A'	1692	1620	9.29	23.50	0.44	0.61
5	A'	1463	1401	11.25	8.50	0.34	0.50
6	A'	1396	1337	14.56	5.07	0.69	0.81
7	A'	1072	1027	24.22	8.95	0.52	0.68
8	A"	1166	1116	9.46	1.01	0.75	0.86
9	A"	808	774	148.77	0.84	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.521
H3	-1.011	1.083
H4	-0.748	-1.138
H5	0.944	-1.017

	C1	N2	H3	H4	H5
C1		1.3079	1.1136	2.0881	2.0080
N2	1.3079		1.9300	1.0185	1.0118
H3	1.1136	1.9300		2.2358	2.8694
H4	2.0881	1.0185	2.2358		1.6969
H5	2.0080	1.0118	2.8694	1.6969

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.240		C1	N2	H5	119.361
N2	C1	H3	105.418		H4	N2	H5	113.399

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.296
2	N	-0.367
3	H	0.108
4	H	0.266
5	H	0.289

	x	y	z	Total
	-1.132	-3.196	0.000	3.390
CHELPG
AIM
ESP

	x	y	z
x	2.851	-0.242	0.000
y	-0.242	3.766	0.000
z	0.000	0.000	1.749

<r²>	19.570
(<r²>)^1/2	4.424

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)