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	hartrees
Energy at 0K	-22.347436
Energy at 298.15K	-22.350141
HF Energy	-22.347436
Nuclear repulsion energy	31.991682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3357	27.70
2	A'	3329	3007	4.24
3	A'	2198	1985	603.29
4	A'	1564	1413	0.88
5	A'	1232	1113	64.26
6	A'	1141	1031	183.06
7	A'	837	757	123.23
8	A'	508	459	25.41
9	A"	3431	3099	0.32
10	A"	1100	993	0.26
11	A"	976	882	72.79
12	A"	455	411	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.188	-1.233	0.000
C2	0.000	0.062	0.000
N3	0.088	1.277	0.000
H4	-0.264	-1.765	0.931
H5	-0.264	-1.765	-0.931
H6	1.037	1.618	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3091	2.5256	1.0750	1.0750	3.1030
C2	1.3091		1.2182	2.0676	2.0676	1.8695
N3	2.5256	1.2182		3.2008	3.2008	1.0080
H4	1.0750	2.0676	3.2008		1.8625	3.7419
H5	1.0750	2.0676	3.2008	1.8625		3.7419
H6	3.1030	1.8695	1.0080	3.7419	3.7419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.908	C2	C1	H4	119.966
C2	C1	H5	119.966	C2	N3	H6	113.906
H4	C1	H5	120.067

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/CEP-121G*

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	-0.693
2	C	0.205
3	N	-0.305
4	H	0.219
5	H	0.219
6	H	0.355

	x	y	z	Total
	1.584	-0.946	0.000	1.845
CHELPG
AIM
ESP

	x	y	z
x	2.697	0.878	0.000
y	0.878	7.335	0.000
z	0.000	0.000	2.653

<r²>	37.449
(<r²>)^1/2	6.120

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)