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	hartrees
Energy at 0K	-131.932545
Energy at 298.15K	-131.935140
HF Energy	-131.932545
Nuclear repulsion energy	58.933242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3188	1.96
2	A'	3101	3083	5.00
3	A'	2097	2085	209.84
4	A'	1449	1442	11.42
5	A'	1143	1137	3.27
6	A'	993	987	297.82
7	A'	713	709	121.42
8	A'	508	505	24.67
9	A"	3174	3156	0.08
10	A"	1020	1014	1.00
11	A"	896	891	57.40
12	A"	448	446	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.040	-1.264	0.000
C2	0.000	0.057	0.000
N3	-0.148	1.283	0.000
H4	0.055	-1.825	0.935
H5	0.055	-1.825	-0.935
H6	0.684	1.912	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3209	2.5536	1.0905	1.0905	3.2406
C2	1.3209		1.2353	2.1016	2.1016	1.9777
N3	2.5536	1.2353		3.2517	3.2517	1.0426
H4	1.0905	2.1016	3.2517		1.8699	3.9033
H5	1.0905	2.1016	3.2517	1.8699		3.9033
H6	3.2406	1.9777	1.0426	3.9033	3.9033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.873	C2	C1	H4	120.977
C2	C1	H5	120.977	C2	N3	H6	120.263
H4	C1	H5	118.045

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: BLYP/3-21G

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	-0.382
2	C	0.380
3	N	-0.684
4	H	0.205
5	H	0.205
6	H	0.275

	x	y	z	Total
	1.569	0.006	0.000	1.569
CHELPG
AIM
ESP

	x	y	z
x	1.519	0.107	0.000
y	0.107	7.038	0.000
z	0.000	0.000	2.161

<r²>	44.598
(<r²>)^1/2	6.678

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)