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	hartrees
Energy at 0K	-131.930841
Energy at 298.15K	-131.933580
HF Energy	-131.930841
Nuclear repulsion energy	60.372195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3377	56.56
2	A'	3315	3004	8.80
3	A'	2235	2025	637.15
4	A'	1566	1419	1.96
5	A'	1242	1126	30.57
6	A'	1118	1013	214.60
7	A'	845	766	104.72
8	A'	536	485	25.84
9	A"	3409	3090	0.21
10	A"	1097	995	0.17
11	A"	968	878	65.79
12	A"	467	423	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.216	-1.218	0.000
C2	0.000	0.062	0.000
N3	0.120	1.260	0.000
H4	-0.303	-1.745	0.928
H5	-0.303	-1.745	-0.928
H6	1.063	1.600	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2978	2.5006	1.0705	1.0705	3.0946
C2	1.2978		1.2041	2.0535	2.0535	1.8697
N3	2.5006	1.2041		3.1731	3.1731	1.0022
H4	1.0705	2.0535	3.1731		1.8555	3.7303
H5	1.0705	2.0535	3.1731	1.8555		3.7303
H6	3.0946	1.8697	1.0022	3.7303	3.7303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.136	C2	C1	H4	119.928
C2	C1	H5	119.928	C2	N3	H6	115.557
H4	C1	H5	120.144

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/Def2TZVPP

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	-0.140
2	C	0.133
3	N	-0.371
4	H	0.086
5	H	0.086
6	H	0.204

	x	y	z	Total
	1.398	-0.834	0.000	1.628
CHELPG
AIM
ESP

	x	y	z
x	3.344	0.848	0.000
y	0.848	7.364	0.000
z	0.000	0.000	3.054

<r²>	43.329
(<r²>)^1/2	6.582

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)