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	hartrees
Energy at 0K	-132.746547
Energy at 298.15K	-132.749108
HF Energy	-132.746547
Nuclear repulsion energy	59.618735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3462	3345	5.29
2	A'	3158	3052	4.36
3	A'	2129	2057	359.43
4	A'	1447	1398	5.00
5	A'	1168	1129	29.54
6	A'	1051	1015	215.44
7	A'	698	675	104.64
8	A'	483	467	21.89
9	A"	3242	3132	0.00
10	A"	1014	980	0.96
11	A"	913	882	61.38
12	A"	425	410	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.091	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.206	1.264	0.000
H4	0.137	-1.796	0.932
H5	0.137	-1.796	-0.932
H6	0.618	1.866	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3088	2.5276	1.0828	1.0828	3.1565
C2	1.3088		1.2219	2.0804	2.0804	1.9094
N3	2.5276	1.2219		3.2165	3.2165	1.0203
H4	1.0828	2.0804	3.2165		1.8639	3.8087
H5	1.0828	2.0804	3.2165	1.8639		3.8087
H6	3.1565	1.9094	1.0203	3.8087	3.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.306	C2	C1	H4	120.599
C2	C1	H5	120.599	C2	N3	H6	116.476
H4	C1	H5	118.796

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/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	-0.499
2	C	0.259
3	N	-0.547
4	H	0.237
5	H	0.237
6	H	0.313

	x	y	z	Total
	1.584	-0.240	0.000	1.602
CHELPG
AIM
ESP

	x	y	z
x	2.416	-0.192	0.000
y	-0.192	7.384	0.000
z	0.000	0.000	2.632

<r²>	43.975
(<r²>)^1/2	6.631

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)