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	hartrees
Energy at 0K	-130.871708
Energy at 298.15K	-130.874139
HF Energy	-130.871708
Nuclear repulsion energy	58.446139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3095	2.62
2	A'	3439	3037	64.10
3	A'	2258	1994	79.55
4	A'	1573	1389	2.79
5	A'	1208	1066	0.65
6	A'	1175	1038	151.65
7	A'	832	735	55.94
8	A'	449	397	13.70
9	A"	3584	3165	9.36
10	A"	1081	955	0.10
11	A"	994	878	32.46
12	A"	399	352	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.643	-1.089	0.000
C2	0.000	0.058	0.000
N3	-0.784	1.052	0.000
H4	0.930	-1.575	0.936
H5	0.930	-1.575	-0.936
H6	-0.230	1.968	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3147	2.5732	1.0924	1.0924	3.1791
C2	1.3147		1.2664	2.0986	2.0986	1.9241
N3	2.5732	1.2664		3.2730	3.2730	1.0706
H4	1.0924	2.0986	3.2730		1.8713	3.8433
H5	1.0924	2.0986	3.2730	1.8713		3.8433
H6	3.1791	1.9241	1.0706	3.8433	3.8433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	171.039	C2	C1	H4	121.070
C2	C1	H5	121.070	C2	N3	H6	110.553
H4	C1	H5	117.845

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HSEh1PBE/STO-3G

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	-0.228
2	C	0.109
3	N	-0.280
4	H	0.102
5	H	0.102
6	H	0.195

	x	y	z	Total
	1.504	0.376	0.000	1.550
CHELPG
AIM
ESP

	x	y	z
x	1.585	-1.647	0.000
y	-1.647	4.169	0.000
z	0.000	0.000	1.188

<r²>	44.176
(<r²>)^1/2	6.647

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HSEh1PBE/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)