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	hartrees
Energy at 0K	-132.625469
Energy at 298.15K	-132.628005
HF Energy	-132.475837
Nuclear repulsion energy	59.632166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3495	3336	20.06
2	A'	3197	3051	9.20
3	A'	2115	2018	375.54
4	A'	1453	1387	5.38
5	A'	1163	1110	16.47
6	A'	998	952	225.67
7	A'	704	672	107.09
8	A'	463	442	22.75
9	A"	3289	3139	1.10
10	A"	1010	964	0.23
11	A"	908	867	61.67
12	A"	416	397	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.183	-1.237	0.000
C2	0.000	0.059	0.000
N3	-0.301	1.245	0.000
H4	0.268	-1.774	0.932
H5	0.268	-1.774	-0.932
H6	0.473	1.905	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3090	2.5290	1.0790	1.0790	3.1556
C2	1.3090		1.2237	2.0739	2.0739	1.9059
N3	2.5290	1.2237		3.2106	3.2106	1.0179
H4	1.0790	2.0739	3.2106		1.8641	3.8010
H5	1.0790	2.0739	3.2106	1.8641		3.8010
H6	3.1556	1.9059	1.0179	3.8010	3.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.792	C2	C1	H4	120.248
C2	C1	H5	120.248	C2	N3	H6	116.170
H4	C1	H5	119.494

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B2PLYP/TZVP

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	-0.442
2	C	0.172
3	N	-0.250
4	H	0.150
5	H	0.150
6	H	0.220

	x	y	z	Total
	1.596	-0.129	0.000	1.601
CHELPG
AIM
ESP

	x	y	z
x	3.019	-0.642	0.000
y	-0.642	7.814	0.000
z	0.000	0.000	2.826

<r²>	44.149
(<r²>)^1/2	6.644

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)