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	hartrees
Energy at 0K	-130.180854
Energy at 298.15K	-130.183485
HF Energy	-130.180854
Nuclear repulsion energy	59.470934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3847	3141	13.28
2	A'	3654	2984	71.24
3	A'	2459	2008	156.79
4	A'	1718	1403	0.21
5	A'	1317	1075	42.84
6	A'	1301	1062	134.06
7	A'	992	810	49.64
8	A'	504	412	17.81
9	A"	3808	3110	7.12
10	A"	1189	971	0.10
11	A"	1093	893	33.72
12	A"	445	363	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.093	-1.239	0.000
C2	0.000	0.050	0.000
N3	-0.216	1.272	0.000
H4	0.139	-1.795	0.924
H5	0.139	-1.795	-0.924
H6	0.676	1.822	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2925	2.5309	1.0790	1.0790	3.1161
C2	1.2925		1.2417	2.0676	2.0676	1.8965
N3	2.5309	1.2417		3.2230	3.2230	1.0476
H4	1.0790	2.0676	3.2230		1.8480	3.7709
H5	1.0790	2.0676	3.2230	1.8480		3.7709
H6	3.1161	1.8965	1.0476	3.7709	3.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.104	C2	C1	H4	121.089
C2	C1	H5	121.089	C2	N3	H6	111.591
H4	C1	H5	117.818

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/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	-0.203
2	C	0.160
3	N	-0.310
4	H	0.085
5	H	0.085
6	H	0.183

	x	y	z	Total
	1.601	-0.495	0.000	1.676
CHELPG
AIM
ESP

	x	y	z
x	0.716	0.056	0.000
y	0.056	5.077	0.000
z	0.000	0.000	1.154

<r²>	43.300
(<r²>)^1/2	6.580

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)