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	hartrees
Energy at 0K	-93.354978
Energy at 298.15K	-93.357799
HF Energy	-93.354978
Nuclear repulsion energy	31.759795

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'	3699	3699	8.29	53.94	0.63	0.77
2	A'	3441	3441	12.51	117.80	0.20	0.34
3	A'	3073	3073	70.97	48.91	0.42	0.60
4	A'	1810	1810	5.28	20.67	0.62	0.77
5	A'	1523	1523	14.64	7.27	0.72	0.84
6	A'	1411	1411	12.10	7.14	0.19	0.32
7	A'	1079	1079	13.31	5.44	0.53	0.70
8	A"	1198	1198	3.12	0.91	0.75	0.86
9	A"	750	750	164.70	1.32	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.824
N2	0.064	-0.533
H3	-1.061	1.045
H4	-0.753	-1.210
H5	0.979	-1.050

	C1	N2	H3	H4	H5
C1		1.3573	1.1467	2.1923	2.0858
N2	1.3573		1.9378	1.0612	1.0507
H3	1.1467	1.9378		2.2755	2.9240
H4	2.1923	1.0612	2.2755		1.7391
H5	2.0858	1.0507	2.9240	1.7391

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.638		C1	N2	H5	119.500
N2	C1	H3	101.075		H4	N2	H5	110.862

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.062
2	N	-0.329
3	H	-0.001
4	H	0.187
5	H	0.206

	x	y	z	Total
	-0.822	-2.895	0.000	3.009
CHELPG
AIM
ESP

	x	y	z
x	1.522	-0.273	0.000
y	-0.273	2.244	0.000
z	0.000	0.000	0.641

<r²>	19.708
(<r²>)^1/2	4.439

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)