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	hartrees
Energy at 0K	-131.968439
Energy at 298.15K	-131.970908
HF Energy	-131.968439
Nuclear repulsion energy	59.360998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3418	3354	12.35
2	A'	3127	3069	17.46
3	A'	2159	2119	300.96
4	A'	1384	1358	6.00
5	A'	1159	1137	22.45
6	A'	974	955	202.44
7	A'	651	639	104.12
8	A'	473	464	22.83
9	A"	3218	3158	4.00
10	A"	946	928	2.43
11	A"	871	855	57.36
12	A"	408	400	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.091	-1.250	0.000
C2	0.000	0.058	0.000
N3	-0.206	1.268	0.000
H4	0.136	-1.802	0.941
H5	0.136	-1.802	-0.941
H6	0.625	1.876	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3111	2.5354	1.0920	1.0920	3.1712
C2	1.3111		1.2274	2.0890	2.0890	1.9224
N3	2.5354	1.2274		3.2293	3.2293	1.0295
H4	1.0920	2.0890	3.2293		1.8819	3.8280
H5	1.0920	2.0890	3.2293	1.8819		3.8280
H6	3.1712	1.9224	1.0295	3.8280	3.8280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.315	C2	C1	H4	120.489
C2	C1	H5	120.489	C2	N3	H6	116.534
H4	C1	H5	119.017

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	-0.449
2	C	0.415
3	N	-0.592
4	H	0.168
5	H	0.168
6	H	0.289

	x	y	z	Total
	1.550	-0.230	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	2.046	-0.172	0.000
y	-0.172	7.247	0.000
z	0.000	0.000	2.527

<r²>	43.911
(<r²>)^1/2	6.627

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)