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	hartrees
Energy at 0K	-131.896430
Energy at 298.15K	-131.899030
HF Energy	-131.896430
Nuclear repulsion energy	59.097673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3274	1.35
2	A'	3128	3128	5.31
3	A'	2121	2121	218.65
4	A'	1452	1452	11.88
5	A'	1152	1152	3.37
6	A'	995	995	304.88
7	A'	718	718	133.52
8	A'	513	513	26.55
9	A"	3206	3206	0.06
10	A"	1027	1027	1.49
11	A"	900	900	63.24
12	A"	451	451	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.032	-1.261	0.000
C2	0.000	0.056	0.000
N3	-0.138	1.281	0.000
H4	0.041	-1.819	0.934
H5	0.041	-1.819	-0.934
H6	0.692	1.901	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3179	2.5474	1.0880	1.0880	3.2304
C2	1.3179		1.2319	2.0954	2.0954	1.9702
N3	2.5474	1.2319		3.2420	3.2420	1.0364
H4	1.0880	2.0954	3.2420		1.8683	3.8900
H5	1.0880	2.0954	3.2420	1.8683		3.8900
H6	3.2304	1.9702	1.0364	3.8900	3.8900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.949	C2	C1	H4	120.838
C2	C1	H5	120.838	C2	N3	H6	120.346
H4	C1	H5	118.323

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B97D3/3-21G*

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	-0.423
2	C	0.397
3	N	-0.729
4	H	0.230
5	H	0.230
6	H	0.295

	x	y	z	Total
	1.612	-0.053	0.000	1.613
CHELPG
AIM
ESP

	x	y	z
x	1.508	0.111	0.000
y	0.111	6.964	0.000
z	0.000	0.000	2.152

<r²>	44.367
(<r²>)^1/2	6.661

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)