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	hartrees
Energy at 0K	-22.910555
Energy at 298.15K	-22.913079
HF Energy	-22.910555
Nuclear repulsion energy	31.311575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3328	3.52
2	A'	3134	3054	4.87
3	A'	2057	2004	338.04
4	A'	1434	1397	10.62
5	A'	1122	1093	8.43
6	A'	949	925	334.25
7	A'	759	740	139.18
8	A'	447	436	25.33
9	A"	3238	3156	1.21
10	A"	1019	993	0.18
11	A"	895	872	80.27
12	A"	404	393	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.393	-1.215	0.000
C2	0.000	0.059	0.000
N3	-0.509	1.199	0.000
H4	0.558	-1.742	0.935
H5	0.558	-1.742	-0.935
H6	0.088	2.035	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3333	2.5771	1.0858	1.0858	3.2645
C2	1.3333		1.2485	2.1040	2.1040	1.9782
N3	2.5771	1.2485		3.2647	3.2647	1.0278
H4	1.0858	2.1040	3.2647		1.8708	3.9187
H5	1.0858	2.1040	3.2647	1.8708		3.9187
H6	3.2645	1.9782	1.0278	3.9187	3.9187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.087	C2	C1	H4	120.515
C2	C1	H5	120.515	C2	N3	H6	120.382
H4	C1	H5	118.969

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/CEP-121G

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	-0.583
2	C	-0.048
3	N	-0.001
4	H	0.171
5	H	0.171
6	H	0.290

	x	y	z	Total
	1.769	0.238	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	2.897	-1.543	0.000
y	-1.543	7.657	0.000
z	0.000	0.000	2.605

<r²>	38.726
(<r²>)^1/2	6.223

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)