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	hartrees
Energy at 0K	-132.686099
Energy at 298.15K	-132.688635
HF Energy	-132.686099
Nuclear repulsion energy	58.774876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3355	14.44
2	A'	3186	3062	8.53
3	A'	2113	2031	345.74
4	A'	1447	1391	15.79
5	A'	1146	1102	9.36
6	A'	928	892	335.23
7	A'	799	768	166.53
8	A'	462	444	30.21
9	A"	3291	3164	0.57
10	A"	1021	982	1.64
11	A"	901	866	77.55
12	A"	414	398	2.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.312	-1.234	0.000
C2	0.000	0.057	0.000
N3	-0.424	1.225	0.000
H4	0.441	-1.773	0.933
H5	0.441	-1.773	-0.933
H6	0.211	2.031	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3275	2.5667	1.0853	1.0853	3.2656
C2	1.3275		1.2431	2.1003	2.1003	1.9851
N3	2.5667	1.2431		3.2567	3.2567	1.0258
H4	1.0853	2.1003	3.2567		1.8662	3.9226
H5	1.0853	2.1003	3.2567	1.8662		3.9226
H6	3.2656	1.9851	1.0258	3.9226	3.9226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.667	C2	C1	H4	120.708
C2	C1	H5	120.708	C2	N3	H6	121.783
H4	C1	H5	118.585

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/LANL2DZ

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	-0.581
2	C	0.106
3	N	-0.289
4	H	0.240
5	H	0.240
6	H	0.286

	x	y	z	Total
	1.780	0.158	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	2.336	-1.292	0.000
y	-1.292	7.408	0.000
z	0.000	0.000	2.338

<r²>	45.072
(<r²>)^1/2	6.714

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)