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	hartrees
Energy at 0K	-132.573847
Energy at 298.15K	-132.576420
HF Energy	-132.573847
Nuclear repulsion energy	59.696754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3522	3373	18.42
2	A'	3201	3065	10.54
3	A'	2170	2078	343.80
4	A'	1435	1375	4.02
5	A'	1179	1129	17.34
6	A'	1026	982	197.11
7	A'	707	677	85.98
8	A'	498	477	21.50
9	A"	3294	3155	1.45
10	A"	992	950	0.49
11	A"	910	872	52.19
12	A"	427	409	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.058	-1.246	0.000
C2	0.000	0.058	0.000
N3	-0.172	1.268	0.000
H4	0.089	-1.792	0.934
H5	0.089	-1.792	-0.934
H6	0.675	1.835	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3061	2.5250	1.0822	1.0822	3.1422
C2	1.3061		1.2218	2.0748	2.0748	1.9000
N3	2.5250	1.2218		3.2101	3.2101	1.0183
H4	1.0822	2.0748	3.2101		1.8680	3.7906
H5	1.0822	2.0748	3.2101	1.8680		3.7906
H6	3.1422	1.9000	1.0183	3.7906	3.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.475	C2	C1	H4	120.333
C2	C1	H5	120.333	C2	N3	H6	115.734
H4	C1	H5	119.330

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.531
2	C	0.426
3	N	-0.524
4	H	0.173
5	H	0.173
6	H	0.284

	x	y	z	Total
	1.438	-0.364	0.000	1.484
CHELPG
AIM
ESP

	x	y	z
x	2.404	-0.028	0.000
y	-0.028	7.140	0.000
z	0.000	0.000	2.788

<r²>	43.553
(<r²>)^1/2	6.599

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)