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	hartrees
Energy at 0K	-22.332309
Energy at 298.15K	-22.334974
HF Energy	-22.332309
Nuclear repulsion energy	31.668102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3362	32.63
2	A'	3363	3020	1.73
3	A'	2249	2019	615.12
4	A'	1563	1404	0.11
5	A'	1246	1119	63.24
6	A'	1146	1029	178.01
7	A'	810	728	132.61
8	A'	498	447	19.99
9	A"	3460	3107	1.38
10	A"	1078	968	0.12
11	A"	967	868	70.34
12	A"	442	397	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.147	-1.259	0.000
C2	0.000	0.068	0.000
N3	0.043	1.294	0.000
H4	-0.203	-1.789	0.939
H5	-0.203	-1.789	-0.939
H6	0.985	1.663	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3345	2.5603	1.0796	1.0796	3.1329
C2	1.3345		1.2277	2.0900	2.0900	1.8745
N3	2.5603	1.2277		3.2322	3.2322	1.0108
H4	1.0796	2.0900	3.2322		1.8781	3.7687
H5	1.0796	2.0900	3.2322	1.8781		3.7687
H6	3.1329	1.8745	1.0108	3.7687	3.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.701	C2	C1	H4	119.566
C2	C1	H5	119.566	C2	N3	H6	113.377
H4	C1	H5	120.867

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/CEP-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	-0.606
2	C	-0.139
3	N	-0.017
4	H	0.209
5	H	0.209
6	H	0.345

	x	y	z	Total
	1.629	-0.901	0.000	1.861
CHELPG
AIM
ESP

	x	y	z
x	2.414	0.755	0.000
y	0.755	7.397	0.000
z	0.000	0.000	2.473

<r²>	38.044
(<r²>)^1/2	6.168

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)