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	hartrees
Energy at 0K	-132.601268
Energy at 298.15K	-132.603840
HF Energy	-132.601268
Nuclear repulsion energy	59.811495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3378	23.52
2	A'	3184	3060	11.08
3	A'	2152	2068	406.62
4	A'	1431	1375	5.17
5	A'	1175	1129	18.50
6	A'	1025	985	208.45
7	A'	710	682	94.13
8	A'	493	474	22.81
9	A"	3275	3148	1.71
10	A"	992	953	0.22
11	A"	901	866	53.22
12	A"	423	406	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.067	-1.244	0.000
C2	0.000	0.059	0.000
N3	-0.180	1.264	0.000
H4	0.102	-1.786	0.934
H5	0.102	-1.786	-0.934
H6	0.658	1.839	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3051	2.5200	1.0807	1.0807	3.1393
C2	1.3051		1.2179	2.0710	2.0710	1.8976
N3	2.5200	1.2179		3.2023	3.2023	1.0170
H4	1.0807	2.0710	3.2023		1.8685	3.7847
H5	1.0807	2.0710	3.2023	1.8685		3.7847
H6	3.1393	1.8976	1.0170	3.7847	3.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.409	C2	C1	H4	120.174
C2	C1	H5	120.174	C2	N3	H6	115.928
H4	C1	H5	119.646

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBE1PBE/cc-pVTZ

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	-0.444
2	C	0.153
3	N	-0.172
4	H	0.143
5	H	0.143
6	H	0.176

	x	y	z	Total
	1.433	-0.292	0.000	1.463
CHELPG
AIM
ESP

	x	y	z
x	2.971	-0.115	0.000
y	-0.115	7.571	0.000
z	0.000	0.000	3.101

<r²>	43.667
(<r²>)^1/2	6.608

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)