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	hartrees
Energy at 0K	-637.208456
Energy at 298.15K	-637.210776
HF Energy	-637.208456
Nuclear repulsion energy	149.936766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3178	0.65
2	A'	3198	3076	5.33
3	A'	1731	1665	168.87
4	A'	1400	1347	2.21
5	A'	1205	1159	194.12
6	A'	964	927	38.71
7	A'	708	681	44.57
8	A'	438	422	1.09
9	A'	374	359	0.01
10	A"	866	833	59.23
11	A"	726	698	0.04
12	A"	546	525	2.53

Atom	x (Å)	y (Å)
C1	0.000	0.452
C2	-0.999	1.310
F3	1.271	0.828
Cl4	-0.155	-1.256
H5	-0.790	2.370
H6	-2.018	0.960

	C1	C2	F3	Cl4	H5	H6
C1		1.3170	1.3253	1.7149	2.0741	2.0813
C2	1.3170		2.3204	2.7012	1.0803	1.0774
F3	1.3253	2.3204		2.5251	2.5733	3.2917
Cl4	1.7149	2.7012	2.5251		3.6809	2.8956
H5	2.0741	1.0803	2.5733	3.6809		1.8697
H6	2.0813	1.0774	3.2917	2.8956	1.8697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.480	C1	C2	H6	120.410
C2	C1	F3	122.852	C2	C1	Cl4	125.475
F3	C1	Cl4	111.674	H5	C2	H6	120.110

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	0.523
2	C	-0.850
3	F	-0.236
4	Cl	-0.104
5	H	0.299
6	H	0.367

	x	y	z	Total
	-1.125	0.671	0.000	1.310
CHELPG
AIM
ESP

	x	y	z
x	6.095	-0.870	0.000
y	-0.870	7.804	0.000
z	0.000	0.000	4.468

<r²>	94.756
(<r²>)^1/2	9.734

All results from a given calculation for C2H2ClF (1-chloro-1-fluoroethylene)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂ClF (1-chloro-1-fluoroethylene)