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	hartrees
Energy at 0K	-132.755701
Energy at 298.15K	-132.758253
HF Energy	-132.755701
Nuclear repulsion energy	59.519416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3446	3446	10.01
2	A'	3163	3163	5.36
3	A'	2119	2119	341.53
4	A'	1438	1438	5.30
5	A'	1160	1160	21.15
6	A'	1038	1038	199.70
7	A'	701	701	100.28
8	A'	479	479	20.70
9	A"	3251	3251	0.17
10	A"	999	999	0.11
11	A"	906	906	54.72
12	A"	417	417	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.152	-1.243	0.000
C2	0.000	0.059	0.000
N3	-0.271	1.255	0.000
H4	0.224	-1.785	0.934
H5	0.224	-1.785	-0.934
H6	0.532	1.888	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3111	2.5332	1.0823	1.0823	3.1534
C2	1.3111		1.2257	2.0796	2.0796	1.9041
N3	2.5332	1.2257		3.2185	3.2185	1.0221
H4	1.0823	2.0796	3.2185		1.8677	3.8021
H5	1.0823	2.0796	3.2185	1.8677		3.8021
H6	3.1534	1.9041	1.0221	3.8021	3.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.915	C2	C1	H4	120.360
C2	C1	H5	120.360	C2	N3	H6	115.493
H4	C1	H5	119.271

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/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	-0.264
2	C	0.189
3	N	-0.439
4	H	0.150
5	H	0.150
6	H	0.213

	x	y	z	Total
	1.514	-0.186	0.000	1.526
CHELPG
AIM
ESP

	x	y	z
x	2.550	-0.431	0.000
y	-0.431	7.402	0.000
z	0.000	0.000	2.690

<r²>	43.942
(<r²>)^1/2	6.629

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)