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	hartrees
Energy at 0K	-132.727063
Energy at 298.15K	-132.729558
HF Energy	-132.727063
Nuclear repulsion energy	59.300527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3351	3340	9.11
2	A'	3088	3077	6.80
3	A'	2044	2037	371.87
4	A'	1399	1394	5.69
5	A'	1130	1126	16.25
6	A'	1008	1004	201.63
7	A'	671	668	85.01
8	A'	462	461	17.91
9	A"	3165	3154	0.52
10	A"	973	970	0.06
11	A"	872	869	47.80
12	A"	406	405	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.265	-1.229	0.000
C2	0.000	0.060	0.000
N3	-0.385	1.227	0.000
H4	0.386	-1.767	0.935
H5	0.386	-1.767	-0.935
H6	0.337	1.956	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3152	2.5407	1.0860	1.0860	3.1859
C2	1.3152		1.2297	2.0884	2.0884	1.9265
N3	2.5407	1.2297		3.2308	3.2308	1.0261
H4	1.0860	2.0884	3.2308		1.8703	3.8398
H5	1.0860	2.0884	3.2308	1.8703		3.8398
H6	3.1859	1.9265	1.0261	3.8398	3.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.356	C2	C1	H4	120.554
C2	C1	H5	120.554	C2	N3	H6	117.016
H4	C1	H5	118.881

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/aug-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	-0.717
2	C	0.452
3	N	-0.367
4	H	0.243
5	H	0.243
6	H	0.146

	x	y	z	Total
	1.373	-0.096	0.000	1.376
CHELPG
AIM
ESP

	x	y	z
x	4.301	-0.847	0.000
y	-0.847	8.389	0.000
z	0.000	0.000	3.895

<r²>	44.622
(<r²>)^1/2	6.680

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)