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	hartrees
Energy at 0K	-94.577688
Energy at 298.15K	-94.580583
HF Energy	-94.577688
Nuclear repulsion energy	32.678931

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'	3516	3410	13.08	108.72	0.59	0.74
2	A'	3330	3230	30.12	353.00	0.28	0.44
3	A'	2886	2800	131.63	171.79	0.47	0.64
4	A'	1654	1604	6.56	26.72	0.46	0.63
5	A'	1438	1395	10.36	8.55	0.42	0.59
6	A'	1373	1332	13.46	3.51	0.67	0.80
7	A'	1058	1026	24.33	11.53	0.48	0.65
8	A"	1152	1117	11.03	1.10	0.75	0.86
9	A"	770	747	141.34	1.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.791
N2	0.063	-0.524
H3	-1.017	1.094
H4	-0.756	-1.146
H5	0.951	-1.026

	C1	N2	H3	H4	H5
C1		1.3146	1.1219	2.1033	2.0219
N2	1.3146		1.9451	1.0289	1.0202
H3	1.1219	1.9451		2.2555	2.8925
H4	2.1033	1.0289	2.2555		1.7116
H5	2.0219	1.0202	2.8925	1.7116

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.243		C1	N2	H5	119.464
N2	C1	H3	105.670		H4	N2	H5	113.293

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/cc-pVDZ

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	-0.206
2	N	-0.004
3	H	0.012
4	H	0.081
5	H	0.116

	x	y	z	Total
	-1.191	-3.213	0.000	3.427
CHELPG
AIM
ESP

	x	y	z
x	2.897	-0.211	0.000
y	-0.211	3.849	0.000
z	0.000	0.000	1.595

<r²>	19.830
(<r²>)^1/2	4.453

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)