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	hartrees
Energy at 0K	-132.550175
Energy at 298.15K	-132.552638
HF Energy	-132.550175
Nuclear repulsion energy	59.013568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3382	3336	3.86
2	A'	3125	3082	8.07
3	A'	2099	2071	274.65
4	A'	1396	1377	4.86
5	A'	1144	1128	20.50
6	A'	1011	997	184.13
7	A'	651	642	95.35
8	A'	459	452	17.88
9	A"	3213	3169	0.62
10	A"	962	949	0.46
11	A"	881	869	52.37
12	A"	402	397	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.190	-1.248	0.000
C2	0.000	0.059	0.000
N3	-0.311	1.257	0.000
H4	0.278	-1.794	0.940
H5	0.278	-1.794	-0.940
H6	0.481	1.916	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3208	2.5549	1.0911	1.0911	3.1771
C2	1.3208		1.2379	2.0966	2.0966	1.9182
N3	2.5549	1.2379		3.2469	3.2469	1.0306
H4	1.0911	2.0966	3.2469		1.8809	3.8327
H5	1.0911	2.0966	3.2469	1.8809		3.8327
H6	3.1771	1.9182	1.0306	3.8327	3.8327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.718	C2	C1	H4	120.461
C2	C1	H5	120.461	C2	N3	H6	115.157
H4	C1	H5	119.071

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	-0.400
2	C	0.419
3	N	-0.590
4	H	0.151
5	H	0.151
6	H	0.268

	x	y	z	Total
	1.525	-0.162	0.000	1.534
CHELPG
AIM
ESP

	x	y	z
x	2.136	-0.570	0.000
y	-0.570	7.248	0.000
z	0.000	0.000	2.523

<r²>	44.336
(<r²>)^1/2	6.659

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)