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	hartrees
Energy at 0K	-132.698719
Energy at 298.15K	-132.701301
HF Energy	-132.698719
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3383	24.19
2	A'	3187	3048	8.73
3	A'	2155	2061	417.27
4	A'	1444	1382	5.06
5	A'	1176	1125	22.94
6	A'	1031	986	207.24
7	A'	731	699	105.44
8	A'	489	467	25.27
9	A"	3282	3139	0.81
10	A"	1007	963	1.00
11	A"	905	866	59.14
12	A"	425	407	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.063	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.044	1.278	0.000
H4	-0.088	-1.788	0.935
H5	-0.088	-1.788	-0.935
H6	0.860	1.746	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3064	2.5238	1.0813	1.0813	3.1306
C2	1.3064		1.2197	2.0722	2.0722	1.8932
N3	2.5238	1.2197		3.2057	3.2057	1.0177
H4	1.0813	2.0722	3.2057		1.8703	3.7761
H5	1.0813	2.0722	3.2057	1.8703		3.7761
H6	3.1306	1.8932	1.0177	3.7761	3.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.175	C2	C1	H4	120.135
C2	C1	H5	120.135	C2	N3	H6	115.298
H4	C1	H5	119.731

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: wB97X-D/6-311G**

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	-0.293
2	C	0.171
3	N	-0.417
4	H	0.159
5	H	0.159
6	H	0.221

	x	y	z	Total
	1.514	-0.484	0.000	1.589
CHELPG
AIM
ESP

	x	y	z
x	2.502	0.393	0.000
y	0.393	7.300	0.000
z	0.000	0.000	2.677

<r²>	43.688
(<r²>)^1/2	6.610

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)