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	hartrees
Energy at 0K	-132.722379
Energy at 298.15K	-132.724910
HF Energy	-132.722379
Nuclear repulsion energy	59.308330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3453	3310	4.91
2	A'	3189	3058	4.80
3	A'	2130	2042	302.91
4	A'	1455	1395	3.24
5	A'	1169	1121	22.93
6	A'	1045	1002	195.38
7	A'	699	670	97.33
8	A'	468	449	19.26
9	A"	3279	3144	0.02
10	A"	1004	963	0.16
11	A"	910	872	55.43
12	A"	412	395	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.145	-1.248	0.000
C2	0.000	0.059	0.000
N3	-0.264	1.262	0.000
H4	0.214	-1.792	0.934
H5	0.214	-1.792	-0.934
H6	0.549	1.885	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3153	2.5440	1.0831	1.0831	3.1595
C2	1.3153		1.2323	2.0843	2.0843	1.9071
N3	2.5440	1.2323		3.2298	3.2298	1.0239
H4	1.0831	2.0843	3.2298		1.8685	3.8089
H5	1.0831	2.0843	3.2298	1.8685		3.8089
H6	3.1595	1.9071	1.0239	3.8089	3.8089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.971	C2	C1	H4	120.391
C2	C1	H5	120.391	C2	N3	H6	115.087
H4	C1	H5	119.211

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/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	-0.409
2	C	0.435
3	N	-0.626
4	H	0.160
5	H	0.160
6	H	0.280

	x	y	z	Total
	1.571	-0.282	0.000	1.596
CHELPG
AIM
ESP

	x	y	z
x	2.072	-0.386	0.000
y	-0.386	7.192	0.000
z	0.000	0.000	2.488

<r²>	44.015
(<r²>)^1/2	6.634

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/6-31G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)