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	hartrees
Energy at 0K	-132.555131
Energy at 298.15K	-132.557585
HF Energy	-132.555131
Nuclear repulsion energy	58.871795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3318	6.37
2	A'	3105	3087	9.34
3	A'	2094	2082	284.53
4	A'	1361	1353	4.35
5	A'	1135	1129	22.80
6	A'	1015	1009	167.50
7	A'	637	633	85.70
8	A'	458	455	17.25
9	A"	3204	3185	1.63
10	A"	941	936	0.06
11	A"	872	866	44.88
12	A"	399	396	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.223	-1.244	0.000
C2	0.000	0.061	0.000
N3	-0.347	1.251	0.000
H4	0.326	-1.788	0.948
H5	0.326	-1.788	-0.948
H6	0.441	1.924	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3241	2.5591	1.0981	1.0981	3.1755
C2	1.3241		1.2392	2.1036	2.1036	1.9143
N3	2.5591	1.2392		3.2537	3.2537	1.0369
H4	1.0981	2.1036	3.2537		1.8966	3.8328
H5	1.0981	2.1036	3.2537	1.8966		3.8328
H6	3.1755	1.9143	1.0369	3.8328	3.8328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.417	C2	C1	H4	120.272
C2	C1	H5	120.272	C2	N3	H6	114.210
H4	C1	H5	119.444

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.092
2	C	-0.003
3	N	-0.165
4	H	0.068
5	H	0.068
6	H	0.124

	x	y	z	Total
	1.402	0.015	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	2.369	-0.674	0.000
y	-0.674	7.359	0.000
z	0.000	0.000	2.713

<r²>	44.531
(<r²>)^1/2	6.673

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)