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	hartrees
Energy at 0K	-132.680807
Energy at 298.15K	-132.683403
HF Energy	-132.680807
Nuclear repulsion energy	59.731040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3498	20.03
2	A'	3192	3192	10.82
3	A'	2167	2167	406.93
4	A'	1457	1457	3.98
5	A'	1184	1184	28.80
6	A'	1047	1047	207.18
7	A'	731	731	110.36
8	A'	494	494	25.87
9	A"	3287	3287	1.36
10	A"	1021	1021	2.26
11	A"	925	925	63.91
12	A"	432	432	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.056	-1.247	0.000
C2	0.000	0.060	0.000
N3	-0.052	1.278	0.000
H4	-0.076	-1.790	0.934
H5	-0.076	-1.790	-0.934
H6	0.849	1.756	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3074	2.5245	1.0810	1.0810	3.1357
C2	1.3074		1.2194	2.0738	2.0738	1.8967
N3	2.5245	1.2194		3.2073	3.2073	1.0195
H4	1.0810	2.0738	3.2073		1.8682	3.7819
H5	1.0810	2.0738	3.2073	1.8682		3.7819
H6	3.1357	1.8967	1.0195	3.7819	3.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.123	C2	C1	H4	120.220
C2	C1	H5	120.220	C2	N3	H6	115.518
H4	C1	H5	119.558

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: M06-2X/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	-0.553
2	C	0.300
3	N	-0.594
4	H	0.259
5	H	0.259
6	H	0.329

	x	y	z	Total
	1.590	-0.504	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	2.429	0.374	0.000
y	0.374	7.214	0.000
z	0.000	0.000	2.586

<r²>	43.822
(<r²>)^1/2	6.620

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)