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	hartrees
Energy at 0K	-130.254506
Energy at 298.15K	-130.256868
HF Energy	-130.254506
Nuclear repulsion energy	58.282580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3429	3070	2.40
2	A'	3373	3021	77.26
3	A'	2222	1990	67.32
4	A'	1513	1355	7.51
5	A'	1182	1058	0.85
6	A'	1089	975	165.68
7	A'	785	703	65.00
8	A'	445	398	13.13
9	A"	3514	3147	16.25
10	A"	1035	927	0.70
11	A"	954	854	36.62
12	A"	388	348	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.786	-0.996	0.000
C2	0.000	0.064	0.000
N3	-0.921	0.935	0.000
H4	1.133	-1.443	0.939
H5	1.133	-1.443	-0.939
H6	-0.530	1.936	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3192	2.5771	1.0962	1.0962	3.2142
C2	1.3192		1.2679	2.1056	2.1056	1.9463
N3	2.5771	1.2679		3.2790	3.2790	1.0750
H4	1.0962	2.1056	3.2790		1.8781	3.8813
H5	1.0962	2.1056	3.2790	1.8781		3.8813
H6	3.2142	1.9463	1.0750	3.8813	3.8813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	169.948	C2	C1	H4	121.047
C2	C1	H5	121.047	C2	N3	H6	112.087
H4	C1	H5	117.888

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/STO-3G

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	-0.258
2	C	0.091
3	N	-0.278
4	H	0.117
5	H	0.117
6	H	0.210

	x	y	z	Total
	1.340	0.692	0.000	1.508
CHELPG
AIM
ESP

	x	y	z
x	2.089	-1.938	0.000
y	-1.938	3.642	0.000
z	0.000	0.000	1.185

<r²>	44.210
(<r²>)^1/2	6.649

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)