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	hartrees
Energy at 0K	-132.618380
Energy at 298.15K	-132.620947
HF Energy	-132.618380
Nuclear repulsion energy	59.828115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3521	3521	26.64
2	A'	3187	3187	11.44
3	A'	2149	2149	425.20
4	A'	1433	1433	5.15
5	A'	1176	1176	18.15
6	A'	1019	1019	211.81
7	A'	712	712	94.87
8	A'	493	493	23.82
9	A"	3279	3279	2.01
10	A"	994	994	0.26
11	A"	899	899	54.99
12	A"	425	425	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.064	-1.244	0.000
C2	0.000	0.059	0.000
N3	-0.177	1.263	0.000
H4	0.099	-1.787	0.934
H5	0.099	-1.787	-0.934
H6	0.656	1.844	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3051	2.5190	1.0805	1.0805	3.1445
C2	1.3051		1.2169	2.0712	2.0712	1.9017
N3	2.5190	1.2169		3.2018	3.2018	1.0162
H4	1.0805	2.0712	3.2018		1.8673	3.7903
H5	1.0805	2.0712	3.2018	1.8673		3.7903
H6	3.1445	1.9017	1.0162	3.7903	3.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.452	C2	C1	H4	120.215
C2	C1	H5	120.215	C2	N3	H6	116.488
H4	C1	H5	119.564

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HSEh1PBE/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	-0.222
2	C	0.034
3	N	-0.230
4	H	0.111
5	H	0.111
6	H	0.196

	x	y	z	Total
	1.434	-0.309	0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	3.284	-0.135	0.000
y	-0.135	7.796	0.000
z	0.000	0.000	3.176

<r²>	43.744
(<r²>)^1/2	6.614

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)