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	hartrees
Energy at 0K	-132.661734
Energy at 298.15K	-132.664306
HF Energy	-132.661734
Nuclear repulsion energy	59.783802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3526	3377	19.09
2	A'	3208	3072	10.15
3	A'	2173	2081	345.42
4	A'	1438	1377	3.45
5	A'	1179	1130	17.08
6	A'	1022	979	195.97
7	A'	709	679	83.22
8	A'	498	477	21.85
9	A"	3303	3164	1.09
10	A"	992	950	0.45
11	A"	911	873	51.83
12	A"	426	408	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	-1.245	0.000
C2	0.000	0.058	0.000
N3	-0.155	1.269	0.000
H4	0.067	-1.790	0.932
H5	0.067	-1.790	-0.932
H6	0.697	1.822	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3044	2.5218	1.0798	1.0798	3.1370
C2	1.3044		1.2203	2.0708	2.0708	1.8971
N3	2.5218	1.2203		3.2048	3.2048	1.0168
H4	1.0798	2.0708	3.2048		1.8646	3.7833
H5	1.0798	2.0708	3.2048	1.8646		3.7833
H6	3.1370	1.8971	1.0168	3.7833	3.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.560	C2	C1	H4	120.291
C2	C1	H5	120.291	C2	N3	H6	115.696
H4	C1	H5	119.413

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B1B95/6-31G(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	-0.504
2	C	0.421
3	N	-0.514
4	H	0.160
5	H	0.160
6	H	0.277

	x	y	z	Total
	1.430	-0.375	0.000	1.478
CHELPG
AIM
ESP

	x	y	z
x	2.390	0.034	0.000
y	0.034	7.099	0.000
z	0.000	0.000	2.780

<r²>	43.437
(<r²>)^1/2	6.591

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)