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	hartrees
Energy at 0K	-132.590705
Energy at 298.15K	-132.593272
HF Energy	-132.590705
Nuclear repulsion energy	59.714274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3370	9.52
2	A'	3184	3056	6.30
3	A'	2160	2073	378.14
4	A'	1443	1385	5.13
5	A'	1179	1131	27.88
6	A'	1046	1004	215.49
7	A'	697	669	110.43
8	A'	490	470	24.14
9	A"	3273	3141	0.21
10	A"	1009	968	1.44
11	A"	916	879	63.08
12	A"	427	409	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.068	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.182	1.265	0.000
H4	0.104	-1.793	0.934
H5	0.104	-1.793	-0.934
H6	0.655	1.846	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3069	2.5236	1.0828	1.0828	3.1463
C2	1.3069		1.2197	2.0771	2.0771	1.9023
N3	2.5236	1.2197		3.2107	3.2107	1.0179
H4	1.0828	2.0771	3.2107		1.8670	3.7966
H5	1.0828	2.0771	3.2107	1.8670		3.7966
H6	3.1463	1.9023	1.0179	3.7966	3.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.424	C2	C1	H4	120.440
C2	C1	H5	120.440	C2	N3	H6	116.159
H4	C1	H5	119.115

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HSEh1PBE/6-311G*

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	-0.525
2	C	0.284
3	N	-0.592
4	H	0.255
5	H	0.255
6	H	0.323

	x	y	z	Total
	1.600	-0.285	0.000	1.625
CHELPG
AIM
ESP

	x	y	z
x	2.408	-0.120	0.000
y	-0.120	7.323	0.000
z	0.000	0.000	2.614

<r²>	43.781
(<r²>)^1/2	6.617

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)