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	hartrees
Energy at 0K	-132.626923
Energy at 298.15K	-132.629389
HF Energy	-132.626923
Nuclear repulsion energy	58.648821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3291	0.30
2	A'	3114	3090	4.60
3	A'	2071	2055	243.43
4	A'	1434	1423	9.38
5	A'	1131	1123	6.78
6	A'	965	958	287.34
7	A'	724	718	114.39
8	A'	432	429	17.48
9	A"	3195	3171	0.65
10	A"	1006	999	0.42
11	A"	885	878	67.94
12	A"	392	389	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.369	-1.217	0.000
C2	0.000	0.057	0.000
N3	-0.485	1.205	0.000
H4	0.529	-1.757	0.935
H5	0.529	-1.757	-0.935
H6	0.124	2.040	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3271	2.5687	1.0910	1.0910	3.2665
C2	1.3271		1.2461	2.1084	2.1084	1.9865
N3	2.5687	1.2461		3.2675	3.2675	1.0340
H4	1.0910	2.1084	3.2675		1.8691	3.9313
H5	1.0910	2.1084	3.2675	1.8691		3.9313
H6	3.2665	1.9865	1.0340	3.9313	3.9313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.232	C2	C1	H4	121.062
C2	C1	H5	121.062	C2	N3	H6	120.930
H4	C1	H5	117.875

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	-0.365
2	C	0.252
3	N	-0.470
4	H	0.149
5	H	0.149
6	H	0.284

	x	y	z	Total
	1.654	0.241	0.000	1.672
CHELPG
AIM
ESP

	x	y	z
x	2.177	-1.411	0.000
y	-1.411	7.177	0.000
z	0.000	0.000	2.322

<r²>	45.054
(<r²>)^1/2	6.712

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)