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	hartrees
Energy at 0K	-132.645065
Energy at 298.15K	-132.647643
HF Energy	-132.645065
Nuclear repulsion energy	59.518019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3289	17.80
2	A'	3218	3047	13.21
3	A'	2186	2070	358.12
4	A'	1468	1391	2.18
5	A'	1195	1131	29.21
6	A'	1055	999	194.90
7	A'	746	707	101.63
8	A'	488	462	22.79
9	A"	3310	3134	1.23
10	A"	1015	961	2.16
11	A"	920	872	60.27
12	A"	423	401	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.076	-1.250	0.000
C2	0.000	0.059	0.000
N3	-0.032	1.285	0.000
H4	-0.102	-1.794	0.935
H5	-0.102	-1.794	-0.935
H6	0.884	1.738	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3109	2.5350	1.0823	1.0823	3.1384
C2	1.3109		1.2263	2.0780	2.0780	1.8979
N3	2.5350	1.2263		3.2184	3.2184	1.0226
H4	1.0823	2.0780	3.2184		1.8703	3.7847
H5	1.0823	2.0780	3.2184	1.8703		3.7847
H6	3.1384	1.8979	1.0226	3.7847	3.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.187	C2	C1	H4	120.220
C2	C1	H5	120.220	C2	N3	H6	114.813
H4	C1	H5	119.558

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: M06-2X/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	-0.522
2	C	0.433
3	N	-0.667
4	H	0.203
5	H	0.203
6	H	0.350

	x	y	z	Total
	1.585	-0.612	0.000	1.699
CHELPG
AIM
ESP

	x	y	z
x	2.022	0.498	0.000
y	0.498	6.985	0.000
z	0.000	0.000	2.435

<r²>	43.852
(<r²>)^1/2	6.622

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)