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	hartrees
Energy at 0K	-132.663111
Energy at 298.15K	-132.665577
HF Energy	-132.663111
Nuclear repulsion energy	58.883084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3268	2.81
2	A'	3106	3081	3.75
3	A'	2068	2052	256.09
4	A'	1421	1409	4.10
5	A'	1139	1129	27.28
6	A'	1041	1032	178.40
7	A'	656	650	88.83
8	A'	453	449	15.86
9	A"	3183	3157	0.05
10	A"	986	978	0.25
11	A"	888	881	50.71
12	A"	404	401	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.208	-1.247	0.000
C2	0.000	0.059	0.000
N3	-0.330	1.256	0.000
H4	0.305	-1.796	0.939
H5	0.305	-1.796	-0.939
H6	0.454	1.931	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3231	2.5603	1.0917	1.0917	3.1875
C2	1.3231		1.2412	2.1015	2.1015	1.9256
N3	2.5603	1.2412		3.2554	3.2554	1.0344
H4	1.0917	2.1015	3.2554		1.8778	3.8460
H5	1.0917	2.1015	3.2554	1.8778		3.8460
H6	3.1875	1.9256	1.0344	3.8460	3.8460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.618	C2	C1	H4	120.677
C2	C1	H5	120.677	C2	N3	H6	115.304
H4	C1	H5	118.637

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/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	-0.456
2	C	0.440
3	N	-0.615
4	H	0.162
5	H	0.162
6	H	0.307

	x	y	z	Total
	1.535	-0.165	0.000	1.544
CHELPG
AIM
ESP

	x	y	z
x	2.111	-0.626	0.000
y	-0.626	7.260	0.000
z	0.000	0.000	2.488

<r²>	44.574
(<r²>)^1/2	6.676

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)