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	hartrees
Energy at 0K	-637.291660
Energy at 298.15K	-637.293730
HF Energy	-637.291660
Nuclear repulsion energy	140.032184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3123	8.49
2	A'	3245	3104	6.25
3	A'	1737	1662	25.40
4	A'	1339	1281	0.03
5	A'	1256	1202	2.61
6	A'	1188	1137	168.92
7	A'	892	853	56.42
8	A'	454	434	1.69
9	A'	272	260	5.59
10	A"	935	894	53.69
11	A"	801	766	16.53
12	A"	276	264	1.36

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.026	-0.368
Cl3	-1.635	-0.089
F4	2.285	0.085
H5	0.122	1.552
H6	0.952	-1.451

	C1	C2	Cl3	F4	H5	H6
C1		1.3283	1.7295	2.3178	1.0835	2.1490
C2	1.3283		2.6754	1.3379	2.1223	1.0854
Cl3	1.7295	2.6754		3.9234	2.4040	2.9239
F4	2.3178	1.3379	3.9234		2.6132	2.0335
H5	1.0835	2.1223	2.4040	2.6132		3.1157
H6	2.1490	1.0854	2.9239	2.0335	3.1157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.769	C1	C2	H6	125.538
C2	C1	Cl3	121.530	C2	C1	H5	122.957
Cl3	C1	H5	115.513	F4	C2	H6	113.693

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B3PW91/6-31G*

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	-0.356
2	C	0.190
3	Cl	0.006
4	F	-0.258
5	H	0.230
6	H	0.188

	x	y	z	Total
	0.342	-0.147	0.000	0.373
CHELPG
AIM
ESP

	x	y	z
x	6.991	-0.334	0.000
y	-0.334	4.130	0.000
z	0.000	0.000	2.203

<r²>	124.838
(<r²>)^1/2	11.173