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	hartrees
Energy at 0K	-132.477284
Energy at 298.15K	-132.479812
HF Energy	-132.376370
Nuclear repulsion energy	58.956551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3492	6.91
2	A'	3215	3215	6.82
3	A'	2123	2123	269.68
4	A'	1492	1492	8.41
5	A'	1157	1157	7.04
6	A'	987	987	345.14
7	A'	785	785	126.13
8	A'	437	437	20.81
9	A"	3305	3305	0.20
10	A"	1055	1055	0.77
11	A"	924	924	78.80
12	A"	400	400	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.352	-1.218	0.000
C2	0.000	0.057	0.000
N3	-0.464	1.206	0.000
H4	0.502	-1.753	0.929
H5	0.502	-1.753	-0.929
H6	0.137	2.032	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3223	2.5580	1.0825	1.0825	3.2578
C2	1.3223		1.2399	2.0952	2.0952	1.9807
N3	2.5580	1.2399		3.2488	3.2488	1.0216
H4	1.0825	2.0952	3.2488		1.8580	3.9150
H5	1.0825	2.0952	3.2488	1.8580		3.9150
H6	3.2578	1.9807	1.0216	3.9150	3.9150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.430	C2	C1	H4	120.886
C2	C1	H5	120.886	C2	N3	H6	121.985
H4	C1	H5	118.228

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/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	-0.398
2	C	0.260
3	N	-0.519
4	H	0.172
5	H	0.172
6	H	0.312

	x	y	z	Total
	1.736	0.282	0.000	1.758
CHELPG
AIM
ESP

	x	y	z
x	2.094	-1.391	0.000
y	-1.391	7.096	0.000
z	0.000	0.000	2.267

<r²>	44.844
(<r²>)^1/2	6.697

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)