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	hartrees
Energy at 0K	-131.134668
Energy at 298.15K	-131.137493
HF Energy	-131.134668
Nuclear repulsion energy	60.182237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3651	3295	49.05
2	A'	3346	3021	7.81
3	A'	2308	2084	432.45
4	A'	1611	1454	6.13
5	A'	1264	1141	11.22
6	A'	1059	956	424.80
7	A'	942	850	158.06
8	A'	573	517	46.48
9	A"	3430	3096	0.00
10	A"	1175	1061	3.69
11	A"	1009	910	88.66
12	A"	507	457	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.410	-1.171	0.000
C2	0.000	0.060	0.000
N3	0.333	1.220	0.000
H4	-0.588	-1.686	0.922
H5	-0.588	-1.686	-0.922
H6	1.303	1.500	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2974	2.5038	1.0708	1.0708	3.1733
C2	1.2974		1.2069	2.0600	2.0600	1.9423
N3	2.5038	1.2069		3.1847	3.1847	1.0098
H4	1.0708	2.0600	3.1847		1.8436	3.8180
H5	1.0708	2.0600	3.1847	1.8436		3.8180
H6	3.1733	1.9423	1.0098	3.8180	3.8180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	177.601	C2	C1	H4	120.584
C2	C1	H5	120.584	C2	N3	H6	122.124
H4	C1	H5	118.828

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/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	-0.424
2	C	0.429
3	N	-0.846
4	H	0.253
5	H	0.253
6	H	0.335

	x	y	z	Total
	1.651	-0.896	0.000	1.879
CHELPG
AIM
ESP

	x	y	z
x	2.081	1.876	0.000
y	1.876	6.056	0.000
z	0.000	0.000	2.044

<r²>	43.544
(<r²>)^1/2	6.599

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)