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	hartrees
Energy at 0K	-131.976707
Energy at 298.15K	-131.979168
HF Energy	-131.976707
Nuclear repulsion energy	59.314485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3380	27.49
2	A'	3121	3074	19.41
3	A'	2139	2107	403.27
4	A'	1375	1354	7.13
5	A'	1154	1137	20.92
6	A'	940	926	210.62
7	A'	662	652	122.90
8	A'	467	460	25.96
9	A"	3212	3164	5.99
10	A"	943	929	2.07
11	A"	862	849	65.72
12	A"	408	402	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.203	-1.238	0.000
C2	0.000	0.059	0.000
N3	-0.320	1.244	0.000
H4	0.293	-1.785	0.942
H5	0.293	-1.785	-0.942
H6	0.437	1.941	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3128	2.5366	1.0928	1.0928	3.1875
C2	1.3128		1.2276	2.0912	2.0912	1.9319
N3	2.5366	1.2276		3.2309	3.2309	1.0289
H4	1.0928	2.0912	3.2309		1.8835	3.8457
H5	1.0928	2.0912	3.2309	1.8835		3.8457
H6	3.1875	1.9319	1.0289	3.8457	3.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.775	C2	C1	H4	120.483
C2	C1	H5	120.483	C2	N3	H6	117.508
H4	C1	H5	119.031

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/6-31+G**

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	-0.155
2	C	-0.015
3	N	-0.538
4	H	0.199
5	H	0.199
6	H	0.311

	x	y	z	Total
	1.611	-0.104	0.000	1.614
CHELPG
AIM
ESP

	x	y	z
x	3.369	-0.822	0.000
y	-0.822	8.169	0.000
z	0.000	0.000	2.972

<r²>	44.456
(<r²>)^1/2	6.668

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)