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	hartrees
Energy at 0K	-94.580792
Energy at 298.15K	-94.583710
HF Energy	-94.580792
Nuclear repulsion energy	32.993789

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'	3610	3448	22.28	83.53	0.66	0.80
2	A'	3473	3317	3.73	241.16	0.22	0.37
3	A'	2951	2819	96.20	153.24	0.46	0.63
4	A'	1699	1623	20.50	15.50	0.53	0.69
5	A'	1460	1395	14.48	9.56	0.25	0.40
6	A'	1401	1338	18.48	2.54	0.71	0.83
7	A'	1087	1038	21.43	6.04	0.49	0.65
8	A"	1162	1110	11.13	1.86	0.75	0.86
9	A"	813	776	157.29	0.16	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.522
H3	-0.999	1.093
H4	-0.758	-1.119
H5	0.941	-1.018

	C1	N2	H3	H4	H5
C1		1.3047	1.1057	2.0714	2.0040
N2	1.3047		1.9326	1.0148	1.0091
H3	1.1057	1.9326		2.2255	2.8674
H4	2.0714	1.0148	2.2255		1.7020
H5	2.0040	1.0091	2.8674	1.7020

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.049		C1	N2	H5	119.471
N2	C1	H3	106.306		H4	N2	H5	114.480

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.246
2	N	-0.146
3	H	0.066
4	H	0.142
5	H	0.184

	x	y	z	Total
	-1.385	-3.303	0.000	3.582
CHELPG
AIM
ESP

	x	y	z
x	3.347	-0.097	0.000
y	-0.097	4.269	0.000
z	0.000	0.000	2.399

<r²>	19.809
(<r²>)^1/2	4.451

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)