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	hartrees
Energy at 0K	-27.327262
Energy at 298.15K	-27.330123
Nuclear repulsion energy	33.350801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3413	3115	12.84
2	A'	3396	3099	3.06
3	A'	3296	3007	0.38
4	A'	1769	1614	56.44
5	A'	1520	1387	12.41
6	A'	1398	1275	27.60
7	A'	1130	1031	22.85
8	A'	711	649	55.34
9	A'	414	378	0.66
10	A"	1097	1001	62.98
11	A"	1067	973	56.23
12	A"	683	623	19.25

Atom	x (Å)	y (Å)
C1	0.000	0.550
C2	1.309	0.325
Cl3	-1.211	-0.787
H4	-0.471	1.512
H5	1.727	-0.664
H6	1.987	1.160

	C1	C2	Cl3	H4	H5	H6
C1		1.3278	1.8037	1.0710	2.1111	2.0786
C2	1.3278		2.7541	2.1389	1.0741	1.0760
Cl3	1.8037	2.7541		2.4148	2.9407	3.7441
H4	1.0710	2.1389	2.4148		3.0929	2.4828
H5	2.1111	1.0741	2.9407	3.0929		1.8429
H6	2.0786	1.0760	3.7441	2.4828	1.8429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.675	C1	C2	H6	119.332
C2	C1	Cl3	122.431	C2	C1	H4	125.831
Cl3	C1	H4	111.738	H5	C2	H6	117.993

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)

using model chemistry: HF/CEP-121G

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	-0.250
2	C	-0.229
3	Cl	-0.072
4	H	0.211
5	H	0.179
6	H	0.162

	x	y	z	Total
	1.828	1.634	0.000	2.452
CHELPG
AIM
ESP

	x	y	z
x	7.014	1.058	0.000
y	1.058	4.417	0.000
z	0.000	0.000	2.123

<r²>	49.841
(<r²>)^1/2	7.060

All results from a given calculation for C2H3Cl (Ethene, chloro-)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)