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	hartrees
Energy at 0K	-131.000551
Energy at 298.15K	-131.002948
HF Energy	-131.000551
Nuclear repulsion energy	58.194599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3427	3059	2.26
2	A'	3389	3024	54.75
3	A'	2203	1966	74.90
4	A'	1563	1394	2.42
5	A'	1184	1057	13.08
6	A'	1164	1038	138.72
7	A'	816	728	52.92
8	A'	438	391	12.62
9	A"	3531	3151	6.83
10	A"	1075	960	0.02
11	A"	979	874	30.57
12	A"	390	348	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.705	-1.056	0.000
C2	0.000	0.060	0.000
N3	-0.847	1.010	0.000
H4	1.020	-1.527	0.938
H5	1.020	-1.527	-0.938
H6	-0.346	1.962	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3206	2.5842	1.0954	1.0954	3.1963
C2	1.3206		1.2724	2.1066	2.1066	1.9333
N3	2.5842	1.2724		3.2861	3.2861	1.0758
H4	1.0954	2.1066	3.2861		1.8758	3.8623
H5	1.0954	2.1066	3.2861	1.8758		3.8623
H6	3.1963	1.9333	1.0758	3.8623	3.8623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	170.577	C2	C1	H4	121.091
C2	C1	H5	121.091	C2	N3	H6	110.555
H4	C1	H5	117.795

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/STO-3G

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	-0.215
2	C	0.110
3	N	-0.278
4	H	0.096
5	H	0.096
6	H	0.189

	x	y	z	Total
	1.456	0.463	0.000	1.528
CHELPG
AIM
ESP

	x	y	z
x	1.805	-1.813	0.000
y	-1.813	4.070	0.000
z	0.000	0.000	1.211

<r²>	44.499
(<r²>)^1/2	6.671

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)