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	hartrees
Energy at 0K	-131.973909
Energy at 298.15K	-131.976393
HF Energy	-131.973909
Nuclear repulsion energy	59.562122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3429	3374	20.99
2	A'	3122	3072	18.86
3	A'	2160	2125	303.41
4	A'	1369	1347	6.89
5	A'	1153	1135	16.43
6	A'	957	942	204.84
7	A'	648	638	88.18
8	A'	488	480	22.88
9	A"	3213	3161	5.47
10	A"	939	924	1.25
11	A"	874	860	52.10
12	A"	412	405	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.143	-1.240	0.000
C2	0.000	0.058	0.000
N3	-0.258	1.252	0.000
H4	0.210	-1.791	0.939
H5	0.210	-1.791	-0.939
H6	0.532	1.909	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3056	2.5246	1.0908	1.0908	3.1727
C2	1.3056		1.2224	2.0839	2.0839	1.9258
N3	2.5246	1.2224		3.2189	3.2189	1.0268
H4	1.0908	2.0839	3.2189		1.8786	3.8302
H5	1.0908	2.0839	3.2189	1.8786		3.8302
H6	3.1727	1.9258	1.0268	3.8302	3.8302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.080	C2	C1	H4	120.555
C2	C1	H5	120.555	C2	N3	H6	117.527
H4	C1	H5	118.885

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.553
2	C	0.387
3	N	-0.479
4	H	0.177
5	H	0.177
6	H	0.290

	x	y	z	Total
	1.419	-0.142	0.000	1.426
CHELPG
AIM
ESP

	x	y	z
x	2.434	-0.354	0.000
y	-0.354	7.254	0.000
z	0.000	0.000	2.837

<r²>	43.683
(<r²>)^1/2	6.609

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)