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	hartrees
Energy at 0K	-831.549889
Energy at 298.15K
HF Energy	-831.549889
Nuclear repulsion energy	291.480145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1856	1780	37.13
2	A'	1378	1322	116.44
3	A'	1245	1194	134.25
4	A'	1050	1007	175.00
5	A'	682	654	5.78
6	A'	513	492	1.02
7	A'	450	432	0.73
8	A'	329	316	0.89
9	A'	191	183	4.09
10	A"	617	592	4.05
11	A"	399	382	1.83
12	A"	172	165	0.07

Atom	x (Å)	y (Å)
C1	-0.693	-0.636
C2	0.000	0.492
F3	-2.037	-0.689
F4	-0.123	-1.852
F5	-0.611	1.706
Cl6	1.711	0.493

	C1	C2	F3	F4	F5	Cl6
C1		1.3240	1.3453	1.3423	2.3433	2.6558
C2	1.3240		2.3546	2.3471	1.3586	1.7114
F3	1.3453	2.3546		2.2391	2.7873	3.9301
F4	1.3423	2.3471	2.2391		3.5907	2.9769
F5	2.3433	1.3586	2.7873	3.5907		2.6200
Cl6	2.6558	1.7114	3.9301	2.9769	2.6200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	121.739	C1	C2	Cl6	121.558
C2	C1	F3	123.798	C2	C1	F4	123.361
F3	C1	F4	112.841	F5	C2	Cl6	116.703

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: B3PW91/3-21G*

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	0.571
2	C	0.062
3	F	-0.249
4	F	-0.248
5	F	-0.244
6	Cl	0.107

	x	y	z	Total
	0.250	-0.233	0.000	0.341
CHELPG
AIM
ESP

	x	y	z
x	5.929	0.873	0.000
y	0.873	4.630	0.000
z	0.000	0.000	1.790

<r²>	186.797
(<r²>)^1/2	13.667

All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)