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	hartrees
Energy at 0K	-132.506175
Energy at 298.15K	-132.508739
HF Energy	-132.506175
Nuclear repulsion energy	59.259343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3371	12.34
2	A'	3224	3082	10.50
3	A'	2180	2083	324.29
4	A'	1476	1411	9.81
5	A'	1185	1133	10.54
6	A'	966	924	332.70
7	A'	799	764	139.24
8	A'	463	442	25.20
9	A"	3317	3171	0.05
10	A"	1040	995	2.00
11	A"	922	882	83.96
12	A"	413	395	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.194	-1.245	0.000
C2	0.000	0.055	0.000
N3	-0.303	1.249	0.000
H4	0.276	-1.794	0.930
H5	0.276	-1.794	-0.930
H6	0.401	1.987	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3147	2.5426	1.0828	1.0828	3.2382
C2	1.3147		1.2311	2.0883	2.0883	1.9725
N3	2.5426	1.2311		3.2338	3.2338	1.0199
H4	1.0828	2.0883	3.2338		1.8592	3.8953
H5	1.0828	2.0883	3.2338	1.8592		3.8953
H6	3.2382	1.9725	1.0199	3.8953	3.8953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.259	C2	C1	H4	120.848
C2	C1	H5	120.848	C2	N3	H6	122.118
H4	C1	H5	118.304

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBE1PBE/6-31G

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	-0.448
2	C	0.287
3	N	-0.569
4	H	0.201
5	H	0.201
6	H	0.328

	x	y	z	Total
	1.798	-0.013	0.000	1.798
CHELPG
AIM
ESP

	x	y	z
x	1.825	-0.706	0.000
y	-0.706	7.240	0.000
z	0.000	0.000	2.259

<r²>	44.349
(<r²>)^1/2	6.660

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBE1PBE/6-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)