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	hartrees
Energy at 0K	-132.670859
Energy at 298.15K	-132.673395
HF Energy	-132.670859
Nuclear repulsion energy	59.420047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3373	21.61
2	A'	3194	3066	10.24
3	A'	2139	2053	425.51
4	A'	1437	1379	4.66
5	A'	1173	1126	21.03
6	A'	1008	968	203.90
7	A'	714	686	118.01
8	A'	470	451	22.27
9	A"	3287	3156	1.49
10	A"	996	956	0.78
11	A"	898	862	64.20
12	A"	418	401	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	-1.245	0.000
C2	0.000	0.059	0.000
N3	-0.276	1.256	0.000
H4	0.231	-1.787	0.936
H5	0.231	-1.787	-0.936
H6	0.517	1.897	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3139	2.5382	1.0839	1.0839	3.1626
C2	1.3139		1.2278	2.0828	2.0828	1.9094
N3	2.5382	1.2278		3.2235	3.2235	1.0205
H4	1.0839	2.0828	3.2235		1.8717	3.8120
H5	1.0839	2.0828	3.2235	1.8717		3.8120
H6	3.1626	1.9094	1.0205	3.8120	3.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.946	C2	C1	H4	120.298
C2	C1	H5	120.298	C2	N3	H6	115.957
H4	C1	H5	119.400

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3PW91/6-31+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	-0.119
2	C	-0.014
3	N	-0.541
4	H	0.187
5	H	0.187
6	H	0.299

	x	y	z	Total
	1.633	-0.267	0.000	1.654
CHELPG
AIM
ESP

	x	y	z
x	3.177	-0.614	0.000
y	-0.614	7.963	0.000
z	0.000	0.000	2.875

<r²>	44.276
(<r²>)^1/2	6.654

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)