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	hartrees
Energy at 0K	-132.688021
Energy at 298.15K	-132.690492
HF Energy	-132.688021
Nuclear repulsion energy	58.835537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3330	6.82
2	A'	3090	3084	6.80
3	A'	2041	2037	354.54
4	A'	1382	1379	5.04
5	A'	1124	1122	20.74
6	A'	1014	1012	183.55
7	A'	680	678	85.46
8	A'	445	445	16.65
9	A"	3179	3173	0.37
10	A"	960	958	0.40
11	A"	863	861	47.19
12	A"	398	397	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.377	-1.209	0.000
C2	0.000	0.062	0.000
N3	-0.503	1.196	0.000
H4	0.548	-1.738	0.944
H5	0.548	-1.738	-0.944
H6	0.162	1.985	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3262	2.5611	1.0949	1.0949	3.2014
C2	1.3262		1.2403	2.1049	2.1049	1.9296
N3	2.5611	1.2403		3.2560	3.2560	1.0322
H4	1.0949	2.1049	3.2560		1.8871	3.8597
H5	1.0949	2.1049	3.2560	1.8871		3.8597
H6	3.2014	1.9296	1.0322	3.8597	3.8597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.589	C2	C1	H4	120.475
C2	C1	H5	120.475	C2	N3	H6	115.934
H4	C1	H5	119.029

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.956
2	C	-0.035
3	N	0.022
4	H	-0.468
5	H	-0.468
6	H	-0.007

	x	y	z	Total
	1.403	-0.011	0.000	1.403
CHELPG
AIM
ESP

	x	y	z
x	4.452	-1.248	0.000
y	-1.248	8.330	0.000
z	0.000	0.000	3.834

<r²>	45.173
(<r²>)^1/2	6.721

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)