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	hartrees
Energy at 0K	-131.825984
Energy at 298.15K	-131.828718
HF Energy	-131.825984
Nuclear repulsion energy	59.584836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3398	65.62
2	A'	3359	3024	6.35
3	A'	2235	2013	575.83
4	A'	1584	1426	9.58
5	A'	1226	1104	15.11
6	A'	1009	909	445.77
7	A'	948	853	162.28
8	A'	519	467	42.45
9	A"	3471	3125	1.52
10	A"	1135	1022	1.60
11	A"	994	895	102.42
12	A"	465	419	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.034	-1.257	0.000
C2	0.000	0.055	0.000
N3	-0.064	1.278	0.000
H4	-0.051	-1.801	0.923
H5	-0.051	-1.801	-0.923
H6	0.753	1.864	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3124	2.5348	1.0716	1.0716	3.2181
C2	1.3124		1.2243	2.0735	2.0735	1.9589
N3	2.5348	1.2243		3.2140	3.2140	1.0051
H4	1.0716	2.0735	3.2140		1.8461	3.8634
H5	1.0716	2.0735	3.2140	1.8461		3.8634
H6	3.2181	1.9589	1.0051	3.8634	3.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.524	C2	C1	H4	120.523
C2	C1	H5	120.523	C2	N3	H6	122.664
H4	C1	H5	118.952

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/SDD

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	0.210
3	N	-0.422
4	H	0.233
5	H	0.233
6	H	0.327

	x	y	z	Total
	1.940	-0.549	0.000	2.016
CHELPG
AIM
ESP

	x	y	z
x	1.936	0.242	0.000
y	0.242	7.681	0.000
z	0.000	0.000	2.297

<r²>	44.569
(<r²>)^1/2	6.676

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)