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	hartrees
Energy at 0K	-131.920455
Energy at 298.15K	-131.922941
HF Energy	-131.920455
Nuclear repulsion energy	59.122849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3430	3360	12.11
2	A'	3139	3076	17.50
3	A'	2168	2124	289.71
4	A'	1410	1382	15.10
5	A'	1167	1143	11.12
6	A'	897	879	316.57
7	A'	735	720	138.62
8	A'	458	449	25.83
9	A"	3228	3163	1.09
10	A"	984	964	4.06
11	A"	875	858	82.91
12	A"	404	396	2.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.230	-1.240	0.000
C2	0.000	0.055	0.000
N3	-0.337	1.239	0.000
H4	0.328	-1.796	0.935
H5	0.328	-1.796	-0.935
H6	0.325	2.027	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3151	2.5425	1.0920	1.0920	3.2681
C2	1.3151		1.2307	2.0992	2.0992	1.9983
N3	2.5425	1.2307		3.2440	3.2440	1.0289
H4	1.0920	2.0992	3.2440		1.8697	3.9352
H5	1.0920	2.0992	3.2440	1.8697		3.9352
H6	3.2681	1.9983	1.0289	3.9352	3.9352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.169	C2	C1	H4	121.123
C2	C1	H5	121.123	C2	N3	H6	124.104
H4	C1	H5	117.755

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/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	-0.469
2	C	0.255
3	N	-0.498
4	H	0.193
5	H	0.193
6	H	0.325

	x	y	z	Total
	1.698	0.217	0.000	1.711
CHELPG
AIM
ESP

	x	y	z
x	1.884	-0.873	0.000
y	-0.873	7.305	0.000
z	0.000	0.000	2.319

<r²>	44.432
(<r²>)^1/2	6.666

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)