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	hartrees
Energy at 0K	-132.024832
Energy at 298.15K	-132.027318
HF Energy	-132.024832
Nuclear repulsion energy	59.726970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3390	31.96
2	A'	3099	3075	21.06
3	A'	2131	2114	412.02
4	A'	1365	1354	7.64
5	A'	1150	1141	17.59
6	A'	955	947	214.18
7	A'	654	649	90.86
8	A'	482	478	26.01
9	A"	3188	3162	6.48
10	A"	938	931	0.38
11	A"	857	851	52.25
12	A"	410	407	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.146	-1.237	0.000
C2	0.000	0.058	0.000
N3	-0.261	1.247	0.000
H4	0.216	-1.783	0.940
H5	0.216	-1.783	-0.940
H6	0.519	1.913	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3032	2.5167	1.0892	1.0892	3.1722
C2	1.3032		1.2169	2.0785	2.0785	1.9264
N3	2.5167	1.2169		3.2080	3.2080	1.0257
H4	1.0892	2.0785	3.2080		1.8792	3.8262
H5	1.0892	2.0785	3.2080	1.8792		3.8262
H6	3.1722	1.9264	1.0257	3.8262	3.8262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.053	C2	C1	H4	120.379
C2	C1	H5	120.379	C2	N3	H6	118.161
H4	C1	H5	119.234

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: SVWN/aug-cc-pVTZ

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	-0.784
2	C	0.536
3	N	-0.405
4	H	0.243
5	H	0.243
6	H	0.168

	x	y	z	Total
	1.387	-0.157	0.000	1.396
CHELPG
AIM
ESP

	x	y	z
x	4.064	-0.451	0.000
y	-0.451	8.302	0.000
z	0.000	0.000	3.840

<r²>	43.936
(<r²>)^1/2	6.628

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)