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	hartrees
Energy at 0K	-131.909911
Energy at 298.15K	-131.912608
HF Energy	-131.909911
Nuclear repulsion energy	59.491686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	3190	28.25
2	A'	3207	3037	13.53
3	A'	2211	2094	302.07
4	A'	1502	1423	9.78
5	A'	1201	1138	7.52
6	A'	986	934	356.05
7	A'	822	779	141.52
8	A'	535	507	38.05
9	A"	3288	3115	1.30
10	A"	1074	1017	4.23
11	A"	944	895	73.30
12	A"	474	449	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.249	-1.229	0.000
C2	0.000	0.057	0.000
N3	0.159	1.269	0.000
H4	-0.359	-1.769	0.931
H5	-0.359	-1.769	-0.931
H6	1.099	1.689	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3097	2.5308	1.0816	1.0816	3.2144
C2	1.3097		1.2223	2.0805	2.0805	1.9678
N3	2.5308	1.2223		3.2190	3.2190	1.0298
H4	1.0816	2.0805	3.2190		1.8615	3.8665
H5	1.0816	2.0805	3.2190	1.8615		3.8665
H6	3.2144	1.9678	1.0298	3.8665	3.8665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.517	C2	C1	H4	120.622
C2	C1	H5	120.622	C2	N3	H6	121.562
H4	C1	H5	118.752

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: M06-2X/3-21G*

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	-0.415
2	C	0.354
3	N	-0.728
4	H	0.238
5	H	0.238
6	H	0.313

	x	y	z	Total
	1.682	-0.500	0.000	1.755
CHELPG
AIM
ESP

	x	y	z
x	1.737	1.264	0.000
y	1.264	6.540	0.000
z	0.000	0.000	2.090

<r²>	44.063
(<r²>)^1/2	6.638

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)