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	hartrees
Energy at 0K	-94.560756
Energy at 298.15K	-94.563652
HF Energy	-94.560756
Nuclear repulsion energy	32.792090

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'	3458	3458	10.78	101.07	0.60	0.75
2	A'	3258	3258	57.75	516.85	0.29	0.45
3	A'	2840	2840	120.48	184.14	0.53	0.70
4	A'	1654	1654	6.22	30.95	0.47	0.64
5	A'	1405	1405	13.46	8.84	0.27	0.43
6	A'	1350	1350	9.97	2.97	0.51	0.68
7	A'	1053	1053	28.40	16.99	0.36	0.53
8	A"	1138	1138	10.98	1.21	0.75	0.86
9	A"	785	785	135.04	0.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.006	1.097
H4	-0.756	-1.140
H5	0.946	-1.023

	C1	N2	H3	H4	H5
C1		1.3115	1.1129	2.0949	2.0148
N2	1.3115		1.9413	1.0249	1.0148
H3	1.1129	1.9413		2.2511	2.8820
H4	2.0949	1.0249	2.2511		1.7061
H5	2.0148	1.0148	2.8820	1.7061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.996		C1	N2	H5	119.469
N2	C1	H3	106.113		H4	N2	H5	113.535

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/cc-pVQZ

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	-0.209
2	N	-0.233
3	H	0.058
4	H	0.168
5	H	0.216

	x	y	z	Total
	-1.240	-3.194	0.000	3.426
CHELPG
AIM
ESP

	x	y	z
x	3.637	0.060	0.000
y	0.060	4.733	0.000
z	0.000	0.000	2.514

<r²>	19.990
(<r²>)^1/2	4.471

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)