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	hartrees
Energy at 0K	-132.725220
Energy at 298.15K	-132.727789
HF Energy	-132.725220
Nuclear repulsion energy	59.609930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3349	11.67
2	A'	3175	3064	7.65
3	A'	2144	2069	323.29
4	A'	1440	1389	3.75
5	A'	1169	1128	17.18
6	A'	1033	997	197.00
7	A'	708	683	80.15
8	A'	493	475	19.40
9	A"	3262	3148	0.51
10	A"	999	964	0.21
11	A"	910	878	50.47
12	A"	426	411	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.079	-1.247	0.000
C2	0.000	0.058	0.000
N3	-0.193	1.267	0.000
H4	0.119	-1.795	0.932
H5	0.119	-1.795	-0.932
H6	0.641	1.854	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3074	2.5285	1.0822	1.0822	3.1515
C2	1.3074		1.2241	2.0777	2.0777	1.9069
N3	2.5285	1.2241		3.2157	3.2157	1.0204
H4	1.0822	2.0777	3.2157		1.8649	3.8021
H5	1.0822	2.0777	3.2157	1.8649		3.8021
H6	3.1515	1.9069	1.0204	3.8021	3.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.375	C2	C1	H4	120.501
C2	C1	H5	120.501	C2	N3	H6	116.040
H4	C1	H5	118.992

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	-0.473
2	C	0.408
3	N	-0.490
4	H	0.146
5	H	0.146
6	H	0.263

	x	y	z	Total
	1.425	-0.335	0.000	1.464
CHELPG
AIM
ESP

	x	y	z
x	2.392	-0.090	0.000
y	-0.090	7.185	0.000
z	0.000	0.000	2.782

<r²>	43.721
(<r²>)^1/2	6.612

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)