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	hartrees
Energy at 0K	-132.700217
Energy at 298.15K	-132.702790
HF Energy	-132.700217
Nuclear repulsion energy	59.925993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3366	23.40
2	A'	3193	3056	10.09
3	A'	2154	2062	408.89
4	A'	1435	1373	4.57
5	A'	1176	1125	17.77
6	A'	1021	978	209.61
7	A'	713	682	91.72
8	A'	493	472	22.96
9	A"	3285	3144	1.12
10	A"	994	951	0.21
11	A"	903	864	52.91
12	A"	422	404	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.053	-1.243	0.000
C2	0.000	0.059	0.000
N3	-0.166	1.263	0.000
H4	0.083	-1.784	0.931
H5	0.083	-1.784	-0.931
H6	0.676	1.830	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3028	2.5156	1.0774	1.0774	3.1352
C2	1.3028		1.2157	2.0663	2.0663	1.8956
N3	2.5156	1.2157		3.1959	3.1959	1.0148
H4	1.0774	2.0663	3.1959		1.8626	3.7785
H5	1.0774	2.0663	3.1959	1.8626		3.7785
H6	3.1352	1.8956	1.0148	3.7785	3.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.494	C2	C1	H4	120.184
C2	C1	H5	120.184	C2	N3	H6	116.101
H4	C1	H5	119.625

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B1B95/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	-0.493
2	C	0.181
3	N	-0.185
4	H	0.155
5	H	0.155
6	H	0.185

	x	y	z	Total
	1.425	-0.298	0.000	1.456
CHELPG
AIM
ESP

	x	y	z
x	2.947	-0.064	0.000
y	-0.064	7.541	0.000
z	0.000	0.000	3.087

<r²>	43.526
(<r²>)^1/2	6.597

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)