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	hartrees
Energy at 0K	-94.622384
Energy at 298.15K	-94.625296
HF Energy	-94.622384
Nuclear repulsion energy	32.950216

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'	3537	3426	18.50	91.98	0.63	0.77
2	A'	3376	3271	20.15	360.54	0.26	0.41
3	A'	2919	2828	102.31	169.06	0.48	0.65
4	A'	1686	1634	13.46	21.53	0.49	0.66
5	A'	1437	1392	14.18	8.79	0.27	0.42
6	A'	1386	1343	12.20	1.55	0.44	0.61
7	A'	1076	1042	24.83	10.40	0.36	0.53
8	A"	1157	1121	11.75	1.13	0.75	0.86
9	A"	802	777	145.08	0.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.784
N2	0.062	-0.522
H3	-0.996	1.099
H4	-0.758	-1.126
H5	0.942	-1.021

	C1	N2	H3	H4	H5
C1		1.3059	1.1046	2.0781	2.0071
N2	1.3059		1.9364	1.0184	1.0107
H3	1.1046	1.9364		2.2375	2.8721
H4	2.0781	1.0184	2.2375		1.7030
H5	2.0071	1.0107	2.8721	1.7030

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.331		C1	N2	H5	119.545
N2	C1	H3	106.600		H4	N2	H5	114.124

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/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	-0.172
2	N	-0.227
3	H	0.036
4	H	0.162
5	H	0.201

	x	y	z	Total
	-1.311	-3.196	0.000	3.455
CHELPG
AIM
ESP

	x	y	z
x	3.485	-0.005	0.000
y	-0.005	4.486	0.000
z	0.000	0.000	2.473

<r²>	19.912
(<r²>)^1/2	4.462

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)