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	hartrees
Energy at 0K	-131.813035
Energy at 298.15K	-131.815626
HF Energy	-131.813035
Nuclear repulsion energy	58.980378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3109	1.66
2	A'	3116	2971	8.54
3	A'	2124	2025	218.93
4	A'	1435	1368	13.74
5	A'	1152	1099	3.84
6	A'	973	928	303.01
7	A'	716	683	135.87
8	A'	514	491	28.73
9	A"	3194	3046	0.17
10	A"	1012	965	1.90
11	A"	892	851	62.79
12	A"	451	430	2.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	-1.263	0.000
C2	0.000	0.056	0.000
N3	-0.141	1.282	0.000
H4	0.045	-1.823	0.937
H5	0.045	-1.823	-0.937
H6	0.687	1.912	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3197	2.5509	1.0918	1.0918	3.2413
C2	1.3197		1.2337	2.1008	2.1008	1.9789
N3	2.5509	1.2337		3.2490	3.2490	1.0407
H4	1.0918	2.1008	3.2490		1.8737	3.9045
H5	1.0918	2.1008	3.2490	1.8737		3.9045
H6	3.2413	1.9789	1.0407	3.9045	3.9045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.958	C2	C1	H4	120.900
C2	C1	H5	120.900	C2	N3	H6	120.708
H4	C1	H5	118.198

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBEPBE/3-21G*

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	-0.439
2	C	0.393
3	N	-0.717
4	H	0.234
5	H	0.234
6	H	0.295

	x	y	z	Total
	1.600	0.010	0.000	1.600
CHELPG
AIM
ESP

	x	y	z
x	1.515	0.102	0.000
y	0.102	7.001	0.000
z	0.000	0.000	2.162

<r²>	44.507
(<r²>)^1/2	6.671

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBEPBE/3-21G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)