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	hartrees
Energy at 0K	-132.676212
Energy at 298.15K	-132.678709
HF Energy	-132.676212
Nuclear repulsion energy	59.146806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3321	3.78
2	A'	3099	3082	5.20
3	A'	2075	2063	263.53
4	A'	1398	1391	4.62
5	A'	1132	1126	14.48
6	A'	1017	1011	184.30
7	A'	660	656	75.36
8	A'	473	470	16.18
9	A"	3179	3162	0.13
10	A"	972	966	0.00
11	A"	887	882	45.51
12	A"	411	409	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.219	-1.239	0.000
C2	0.000	0.059	0.000
N3	-0.340	1.246	0.000
H4	0.320	-1.786	0.937
H5	0.320	-1.786	-0.937
H6	0.425	1.935	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3165	2.5475	1.0891	1.0891	3.1807
C2	1.3165		1.2349	2.0932	2.0932	1.9236
N3	2.5475	1.2349		3.2409	3.2409	1.0298
H4	1.0891	2.0932	3.2409		1.8735	3.8379
H5	1.0891	2.0932	3.2409	1.8735		3.8379
H6	3.1807	1.9236	1.0298	3.8379	3.8379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.601	C2	C1	H4	120.662
C2	C1	H5	120.662	C2	N3	H6	115.988
H4	C1	H5	118.668

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.434
2	C	0.408
3	N	-0.471
4	H	0.127
5	H	0.127
6	H	0.243

	x	y	z	Total
	1.386	-0.137	0.000	1.393
CHELPG
AIM
ESP

	x	y	z
x	2.510	-0.619	0.000
y	-0.619	7.295	0.000
z	0.000	0.000	2.832

<r²>	44.264
(<r²>)^1/2	6.653

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)