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	hartrees
Energy at 0K	-22.940288
Energy at 298.15K	-22.942737
HF Energy	-22.940288
Nuclear repulsion energy	31.220751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3449	3331	6.71
2	A'	3172	3063	2.90
3	A'	2107	2034	369.27
4	A'	1426	1377	1.87
5	A'	1153	1113	43.09
6	A'	1056	1020	170.21
7	A'	669	646	141.78
8	A'	437	422	14.82
9	A"	3260	3149	0.32
10	A"	973	940	0.13
11	A"	884	854	56.89
12	A"	395	381	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.193	-1.269	0.000
C2	0.000	0.066	0.000
N3	-0.315	1.273	0.000
H4	0.278	-1.806	0.949
H5	0.278	-1.806	-0.949
H6	0.494	1.912	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3489	2.5924	1.0934	1.0934	3.1948
C2	1.3489		1.2476	2.1171	2.1171	1.9105
N3	2.5924	1.2476		3.2763	3.2763	1.0308
H4	1.0934	2.1171	3.2763		1.8970	3.8429
H5	1.0934	2.1171	3.2763	1.8970		3.8429
H6	3.1948	1.9105	1.0308	3.8429	3.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.580	C2	C1	H4	119.827
C2	C1	H5	119.827	C2	N3	H6	113.632
H4	C1	H5	120.339

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/CEP-31G*

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	-0.647
2	C	-0.183
3	N	0.077
4	H	0.224
5	H	0.224
6	H	0.307

	x	y	z	Total
	1.635	-0.259	0.000	1.656
CHELPG
AIM
ESP

	x	y	z
x	2.471	-0.634	0.000
y	-0.634	7.614	0.000
z	0.000	0.000	2.531

<r²>	38.547
(<r²>)^1/2	6.209

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)