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	hartrees
Energy at 0K	-131.927822
Energy at 298.15K	-131.930568
HF Energy	-131.927822
Nuclear repulsion energy	60.362961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3387	59.59
2	A'	3313	3016	9.36
3	A'	2230	2030	658.21
4	A'	1565	1424	1.88
5	A'	1240	1129	29.59
6	A'	1117	1017	210.30
7	A'	845	769	100.36
8	A'	535	487	25.08
9	A"	3406	3101	0.24
10	A"	1096	998	0.02
11	A"	966	879	62.14
12	A"	467	425	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.202	-1.220	0.000
C2	0.000	0.062	0.000
N3	0.105	1.262	0.000
H4	-0.282	-1.748	0.928
H5	-0.282	-1.748	-0.928
H6	1.043	1.615	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2978	2.5009	1.0705	1.0705	3.0960
C2	1.2978		1.2046	2.0532	2.0532	1.8705
N3	2.5009	1.2046		3.1732	3.1732	1.0025
H4	1.0705	2.0532	3.1732		1.8559	3.7314
H5	1.0705	2.0532	3.1732	1.8559		3.7314
H6	3.0960	1.8705	1.0025	3.7314	3.7314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.036	C2	C1	H4	119.908
C2	C1	H5	119.908	C2	N3	H6	115.583
H4	C1	H5	120.183

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/aug-cc-pVTZ

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	-1.018
2	C	0.465
3	N	-0.468
4	H	0.389
5	H	0.389
6	H	0.242

	x	y	z	Total
	1.367	-0.842	0.000	1.605
CHELPG
AIM
ESP

	x	y	z
x	3.863	0.711	0.000
y	0.711	7.603	0.000
z	0.000	0.000	3.549

<r²>	43.377
(<r²>)^1/2	6.586

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)