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	hartrees
Energy at 0K	-132.715755
Energy at 298.15K	-132.718283
HF Energy	-132.715755
Nuclear repulsion energy	59.266894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3423	3284	3.67
2	A'	3194	3064	3.89
3	A'	2129	2043	296.71
4	A'	1466	1407	3.25
5	A'	1172	1124	26.56
6	A'	1059	1016	197.20
7	A'	698	670	101.18
8	A'	468	449	19.04
9	A"	3280	3146	0.00
10	A"	1015	974	0.25
11	A"	916	879	56.84
12	A"	413	396	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	-1.247	0.000
C2	0.000	0.059	0.000
N3	-0.282	1.259	0.000
H4	0.239	-1.792	0.934
H5	0.239	-1.792	-0.934
H6	0.520	1.898	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3158	2.5452	1.0840	1.0840	3.1646
C2	1.3158		1.2330	2.0866	2.0866	1.9109
N3	2.5452	1.2330		3.2328	3.2328	1.0254
H4	1.0840	2.0866	3.2328		1.8682	3.8159
H5	1.0840	2.0866	3.2328	1.8682		3.8159
H6	3.1646	1.9109	1.0254	3.8159	3.8159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.877	C2	C1	H4	120.489
C2	C1	H5	120.489	C2	N3	H6	115.277
H4	C1	H5	119.015

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/6-31G*

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	-0.518
2	C	0.453
3	N	-0.668
4	H	0.198
5	H	0.198
6	H	0.336

	x	y	z	Total
	1.602	-0.267	0.000	1.624
CHELPG
AIM
ESP

	x	y	z
x	2.049	-0.465	0.000
y	-0.465	7.158	0.000
z	0.000	0.000	2.453

<r²>	44.083
(<r²>)^1/2	6.639

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)