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	hartrees
Energy at 0K	-131.871265
Energy at 298.15K	-131.873988
HF Energy	-131.871265
Nuclear repulsion energy	60.109359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3730	3352	29.58
2	A'	3361	3020	5.56
3	A'	2271	2041	527.07
4	A'	1590	1429	0.57
5	A'	1262	1133	43.33
6	A'	1142	1026	214.29
7	A'	860	772	112.75
8	A'	519	466	25.95
9	A"	3452	3102	0.05
10	A"	1113	1000	1.29
11	A"	987	887	73.58
12	A"	461	414	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.286	-1.208	0.000
C2	0.000	0.062	0.000
N3	0.195	1.259	0.000
H4	-0.406	-1.733	0.927
H5	-0.406	-1.733	-0.927
H6	1.162	1.533	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3013	2.5127	1.0726	1.0726	3.0997
C2	1.3013		1.2126	2.0608	2.0608	1.8749
N3	2.5127	1.2126		3.1894	3.1894	1.0054
H4	1.0726	2.0608	3.1894		1.8545	3.7400
H5	1.0726	2.0608	3.1894	1.8545		3.7400
H6	3.0997	1.8749	1.0054	3.7400	3.7400

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.561	C2	C1	H4	120.175
C2	C1	H5	120.175	C2	N3	H6	115.094
H4	C1	H5	119.649

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/6-31G*

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	-0.538
2	C	0.445
3	N	-0.717
4	H	0.218
5	H	0.218
6	H	0.375

	x	y	z	Total
	1.499	-1.071	0.000	1.843
CHELPG
AIM
ESP

	x	y	z
x	2.256	1.302	0.000
y	1.302	6.617	0.000
z	0.000	0.000	2.364

<r²>	43.443
(<r²>)^1/2	6.591

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)