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	hartrees
Energy at 0K	-132.729227
Energy at 298.15K	-132.731718
HF Energy	-132.729227
Nuclear repulsion energy	59.286625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3353	3353	7.59
2	A'	3091	3091	6.36
3	A'	2050	2050	344.14
4	A'	1400	1400	5.83
5	A'	1131	1131	17.29
6	A'	1009	1009	204.55
7	A'	669	669	89.43
8	A'	465	465	18.04
9	A"	3171	3171	0.47
10	A"	976	976	0.01
11	A"	874	874	50.23
12	A"	408	408	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.246	-1.233	0.000
C2	0.000	0.060	0.000
N3	-0.366	1.234	0.000
H4	0.358	-1.773	0.936
H5	0.358	-1.773	-0.936
H6	0.369	1.949	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3160	2.5415	1.0863	1.0863	3.1848
C2	1.3160		1.2297	2.0890	2.0890	1.9254
N3	2.5415	1.2297		3.2314	3.2314	1.0264
H4	1.0863	2.0890	3.2314		1.8714	3.8385
H5	1.0863	2.0890	3.2314	1.8714		3.8385
H6	3.1848	1.9254	1.0264	3.8385	3.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.457	C2	C1	H4	120.522
C2	C1	H5	120.522	C2	N3	H6	116.887
H4	C1	H5	118.946

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/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	-0.287
2	C	0.044
3	N	-0.166
4	H	0.118
5	H	0.118
6	H	0.173

	x	y	z	Total
	1.394	-0.060	0.000	1.396
CHELPG
AIM
ESP

	x	y	z
x	3.524	-0.794	0.000
y	-0.794	8.016	0.000
z	0.000	0.000	3.282

<r²>	44.543
(<r²>)^1/2	6.674

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)