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	hartrees
Energy at 0K	-132.705720
Energy at 298.15K	-132.708286
HF Energy	-132.705720
Nuclear repulsion energy	59.925282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3524	3524	26.93
2	A'	3197	3197	10.87
3	A'	2152	2152	427.48
4	A'	1436	1436	4.51
5	A'	1177	1177	17.73
6	A'	1016	1016	210.22
7	A'	714	714	92.74
8	A'	492	492	23.98
9	A"	3290	3290	1.50
10	A"	994	994	0.23
11	A"	901	901	54.42
12	A"	424	424	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	-1.243	0.000
C2	0.000	0.059	0.000
N3	-0.165	1.263	0.000
H4	0.083	-1.784	0.931
H5	0.083	-1.784	-0.931
H6	0.674	1.833	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3032	2.5156	1.0775	1.0775	3.1383
C2	1.3032		1.2153	2.0667	2.0667	1.8978
N3	2.5156	1.2153		3.1959	3.1959	1.0144
H4	1.0775	2.0667	3.1959		1.8629	3.7817
H5	1.0775	2.0667	3.1959	1.8629		3.7817
H6	3.1383	1.8978	1.0144	3.7817	3.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.513	C2	C1	H4	120.183
C2	C1	H5	120.183	C2	N3	H6	116.382
H4	C1	H5	119.628

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B1B95/Def2TZVPP

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	-0.241
2	C	0.076
3	N	-0.255
4	H	0.113
5	H	0.113
6	H	0.193

	x	y	z	Total
	1.428	-0.321	0.000	1.464
CHELPG
AIM
ESP

	x	y	z
x	3.252	-0.091	0.000
y	-0.091	7.751	0.000
z	0.000	0.000	3.161

<r²>	43.605
(<r²>)^1/2	6.603

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B1B95/Def2TZVPP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)