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	hartrees
Energy at 0K	-132.574901
Energy at 298.15K	-132.577441
HF Energy	-132.431865
Nuclear repulsion energy	59.351139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3516	9.24
2	A'	3226	3226	7.49
3	A'	2135	2135	291.16
4	A'	1469	1469	3.05
5	A'	1170	1170	23.18
6	A'	1046	1046	205.56
7	A'	709	709	93.57
8	A'	466	466	20.48
9	A"	3321	3321	0.23
10	A"	1016	1016	0.31
11	A"	917	917	56.45
12	A"	415	415	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-1.253	0.000
C2	0.000	0.058	0.000
N3	-0.219	1.271	0.000
H4	0.152	-1.795	0.932
H5	0.152	-1.795	-0.932
H6	0.613	1.862	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3148	2.5441	1.0801	1.0801	3.1558
C2	1.3148		1.2325	2.0805	2.0805	1.9048
N3	2.5441	1.2325		3.2266	3.2266	1.0202
H4	1.0801	2.0805	3.2266		1.8650	3.8020
H5	1.0801	2.0805	3.2266	1.8650		3.8020
H6	3.1558	1.9048	1.0202	3.8020	3.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.238	C2	C1	H4	120.303
C2	C1	H5	120.303	C2	N3	H6	115.139
H4	C1	H5	119.388

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/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	-0.380
2	C	0.402
3	N	-0.583
4	H	0.144
5	H	0.144
6	H	0.274

	x	y	z	Total
	1.575	-0.291	0.000	1.602
CHELPG
AIM
ESP

	x	y	z
x	2.016	-0.227	0.000
y	-0.227	7.155	0.000
z	0.000	0.000	2.453

<r²>	44.085
(<r²>)^1/2	6.640

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/6-31G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)