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	hartrees
Energy at 0K	-93.328614
Energy at 298.15K	-93.331438
HF Energy	-93.328614
Nuclear repulsion energy	31.800773

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'	3721	3321	7.78	51.99	0.64	0.78
2	A'	3477	3103	7.79	109.04	0.20	0.33
3	A'	3070	2740	68.40	48.55	0.41	0.58
4	A'	1806	1612	7.68	19.80	0.63	0.77
5	A'	1516	1353	16.15	7.46	0.73	0.84
6	A'	1414	1261	12.16	6.74	0.17	0.30
7	A'	1090	972	12.89	5.00	0.54	0.70
8	A"	1187	1060	3.53	0.90	0.75	0.86
9	A"	756	674	169.60	1.28	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.064	0.823
N2	0.064	-0.533
H3	-1.058	1.051
H4	-0.755	-1.202
H5	0.976	-1.051

	C1	N2	H3	H4	H5
C1		1.3561	1.1451	2.1845	2.0835
N2	1.3561		1.9417	1.0578	1.0484
H3	1.1451	1.9417		2.2737	2.9249
H4	2.1845	1.0578	2.2737		1.7379
H5	2.0835	1.0484	2.9249	1.7379

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.224		C1	N2	H5	119.571
N2	C1	H3	101.512		H4	N2	H5	111.205

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/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	-0.065
2	N	-0.342
3	H	0.006
4	H	0.191
5	H	0.210

	x	y	z	Total
	-0.868	-2.872	0.000	3.000
CHELPG
AIM
ESP

	x	y	z
x	1.502	-0.280	0.000
y	-0.280	2.210	0.000
z	0.000	0.000	0.651

<r²>	19.664
(<r²>)^1/2	4.434

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)