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	hartrees
Energy at 0K	-130.860480
Energy at 298.15K	-130.862913
HF Energy	-130.860480
Nuclear repulsion energy	58.464098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3098	2.74
2	A'	3441	3036	65.36
3	A'	2263	1996	80.23
4	A'	1573	1388	2.82
5	A'	1209	1067	0.54
6	A'	1176	1037	152.37
7	A'	835	736	56.22
8	A'	450	397	13.83
9	A"	3587	3164	9.77
10	A"	1081	954	0.11
11	A"	996	879	32.69
12	A"	399	352	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.636	-1.092	0.000
C2	0.000	0.058	0.000
N3	-0.777	1.057	0.000
H4	0.919	-1.580	0.936
H5	0.919	-1.580	-0.936
H6	-0.217	1.969	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3143	2.5725	1.0922	1.0922	3.1779
C2	1.3143		1.2660	2.0980	2.0980	1.9235
N3	2.5725	1.2660		3.2720	3.2720	1.0702
H4	1.0922	2.0980	3.2720		1.8712	3.8417
H5	1.0922	2.0980	3.2720	1.8712		3.8417
H6	3.1779	1.9235	1.0702	3.8417	3.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	171.092	C2	C1	H4	121.056
C2	C1	H5	121.056	C2	N3	H6	110.560
H4	C1	H5	117.874

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBE1PBE/STO-3G

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	-0.229
2	C	0.110
3	N	-0.281
4	H	0.103
5	H	0.103
6	H	0.195

	x	y	z	Total
	1.510	0.366	0.000	1.554
CHELPG
AIM
ESP

	x	y	z
x	1.560	-1.626	0.000
y	-1.626	4.179	0.000
z	0.000	0.000	1.185

<r²>	44.152
(<r²>)^1/2	6.645

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)