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	hartrees
Energy at 0K	-131.925788
Energy at 298.15K	-131.928534
HF Energy	-131.925788
Nuclear repulsion energy	60.363452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3384	51.45
2	A'	3312	3014	8.35
3	A'	2239	2038	612.13
4	A'	1565	1424	1.97
5	A'	1241	1129	31.86
6	A'	1123	1022	212.15
7	A'	845	769	104.56
8	A'	537	488	24.89
9	A"	3405	3098	0.12
10	A"	1097	998	0.20
11	A"	970	883	63.94
12	A"	465	423	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.218	-1.217	0.000
C2	0.000	0.062	0.000
N3	0.122	1.261	0.000
H4	-0.306	-1.744	0.928
H5	-0.306	-1.744	-0.928
H6	1.067	1.595	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2977	2.5011	1.0705	1.0705	3.0919
C2	1.2977		1.2048	2.0533	2.0533	1.8678
N3	2.5011	1.2048		3.1736	3.1736	1.0027
H4	1.0705	2.0533	3.1736		1.8555	3.7274
H5	1.0705	2.0533	3.1736	1.8555		3.7274
H6	3.0919	1.8678	1.0027	3.7274	3.7274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.127	C2	C1	H4	119.927
C2	C1	H5	119.927	C2	N3	H6	115.278
H4	C1	H5	120.146

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/cc-pVTZ

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	-0.522
2	C	0.223
3	N	-0.221
4	H	0.163
5	H	0.163
6	H	0.195

	x	y	z	Total
	1.399	-0.818	0.000	1.620
CHELPG
AIM
ESP

	x	y	z
x	3.062	0.897	0.000
y	0.897	7.165	0.000
z	0.000	0.000	2.987

<r²>	43.267
(<r²>)^1/2	6.578

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)