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	hartrees
Energy at 0K	-132.582520
Energy at 298.15K	-132.585073
HF Energy	-132.582520
Nuclear repulsion energy	59.417055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3375	23.83
2	A'	3194	3073	11.49
3	A'	2146	2065	429.25
4	A'	1420	1367	4.12
5	A'	1172	1128	21.72
6	A'	1032	993	188.31
7	A'	715	688	90.06
8	A'	476	458	21.34
9	A"	3295	3171	1.44
10	A"	982	945	0.04
11	A"	892	859	51.85
12	A"	417	401	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.145	-1.246	0.000
C2	0.000	0.060	0.000
N3	-0.263	1.258	0.000
H4	0.214	-1.788	0.940
H5	0.214	-1.788	-0.940
H6	0.544	1.885	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3141	2.5372	1.0876	1.0876	3.1561
C2	1.3141		1.2267	2.0846	2.0846	1.9040
N3	2.5372	1.2267		3.2236	3.2236	1.0215
H4	1.0876	2.0846	3.2236		1.8808	3.8056
H5	1.0876	2.0846	3.2236	1.8808		3.8056
H6	3.1561	1.9040	1.0215	3.8056	3.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.950	C2	C1	H4	120.153
C2	C1	H5	120.153	C2	N3	H6	115.453
H4	C1	H5	119.685

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	0.633
2	C	0.035
3	N	-0.199
4	H	-0.269
5	H	-0.269
6	H	0.069

	x	y	z	Total
	1.440	-0.318	0.000	1.475
CHELPG
AIM
ESP

	x	y	z
x	3.919	-0.434	0.000
y	-0.434	8.146	0.000
z	0.000	0.000	3.667

<r²>	44.281
(<r²>)^1/2	6.654

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)