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	hartrees
Energy at 0K	-94.580352
Energy at 298.15K	-94.583260
HF Energy	-94.580352
Nuclear repulsion energy	32.749430

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'	3534	3410	9.21	97.57	0.56	0.71
2	A'	3360	3243	23.17	286.62	0.27	0.43
3	A'	2892	2791	123.19	129.82	0.45	0.62
4	A'	1692	1633	5.92	26.51	0.44	0.61
5	A'	1432	1382	18.95	10.49	0.50	0.66
6	A'	1393	1344	7.48	2.76	0.33	0.50
7	A'	1060	1023	24.68	10.38	0.51	0.67
8	A"	1165	1124	9.33	1.08	0.75	0.86
9	A"	801	773	146.31	0.91	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.792
N2	0.063	-0.524
H3	-1.013	1.084
H4	-0.748	-1.147
H5	0.947	-1.021

	C1	N2	H3	H4	H5
C1		1.3155	1.1147	2.1016	2.0166
N2	1.3155		1.9341	1.0225	1.0144
H3	1.1147	1.9341		2.2466	2.8758
H4	2.1016	1.0225	2.2466		1.6994
H5	2.0166	1.0144	2.8758	1.6994

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.583		C1	N2	H5	119.329
N2	C1	H3	105.175		H4	N2	H5	113.088

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.289
2	N	-0.366
3	H	0.104
4	H	0.264
5	H	0.288

	x	y	z	Total
	-1.105	-3.203	0.000	3.388
CHELPG
AIM
ESP

	x	y	z
x	2.905	-0.231	0.000
y	-0.231	3.857	0.000
z	0.000	0.000	1.751

<r²>	19.681
(<r²>)^1/2	4.436

All results from a given calculation for CHNH2 (aminomethylene)

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

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)