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	hartrees
Energy at 0K	-132.543181
Energy at 298.15K	-132.545644
HF Energy	-132.543181
Nuclear repulsion energy	58.970112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3301	2.97
2	A'	3126	3082	6.71
3	A'	2098	2068	268.80
4	A'	1408	1388	5.03
5	A'	1148	1131	23.47
6	A'	1027	1012	185.97
7	A'	650	641	99.63
8	A'	458	452	17.55
9	A"	3209	3163	0.28
10	A"	974	960	0.61
11	A"	887	875	53.82
12	A"	404	398	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.210	-1.245	0.000
C2	0.000	0.059	0.000
N3	-0.332	1.253	0.000
H4	0.307	-1.792	0.940
H5	0.307	-1.792	-0.940
H6	0.449	1.928	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3212	2.5560	1.0922	1.0922	3.1823
C2	1.3212		1.2387	2.0993	2.0993	1.9220
N3	2.5560	1.2387		3.2504	3.2504	1.0322
H4	1.0922	2.0993	3.2504		1.8805	3.8402
H5	1.0922	2.0993	3.2504	1.8805		3.8402
H6	3.1823	1.9220	1.0322	3.8402	3.8402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.614	C2	C1	H4	120.583
C2	C1	H5	120.583	C2	N3	H6	115.336
H4	C1	H5	118.826

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBEPBE/6-31G*

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	-0.513
2	C	0.439
3	N	-0.633
4	H	0.190
5	H	0.190
6	H	0.326

	x	y	z	Total
	1.556	-0.144	0.000	1.563
CHELPG
AIM
ESP

	x	y	z
x	2.120	-0.657	0.000
y	-0.657	7.208	0.000
z	0.000	0.000	2.487

<r²>	44.405
(<r²>)^1/2	6.664

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)