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	hartrees
Energy at 0K	-637.326128
Energy at 298.15K	-637.328202
HF Energy	-637.326128
Nuclear repulsion energy	139.847211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3128	7.26
2	A'	3229	3116	5.71
3	A'	1728	1668	25.52
4	A'	1305	1259	0.07
5	A'	1213	1170	0.61
6	A'	1168	1127	184.17
7	A'	884	853	55.55
8	A'	452	436	1.63
9	A'	268	259	5.67
10	A"	925	893	50.58
11	A"	804	776	16.19
12	A"	275	266	1.33

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.026	-0.369
Cl3	-1.636	-0.088
F4	2.287	0.081
H5	0.128	1.561
H6	0.944	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3305	1.7311	2.3212	1.0906	2.1535
C2	1.3305		2.6771	1.3386	2.1288	1.0921
Cl3	1.7311	2.6771		3.9267	2.4144	2.9211
F4	2.3212	1.3386	3.9267		2.6179	2.0425
H5	1.0906	2.1288	2.4144	2.6179		3.1272
H6	2.1535	1.0921	2.9211	2.0425	3.1272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.841	C1	C2	H6	125.197
C2	C1	Cl3	121.402	C2	C1	H5	122.804
Cl3	C1	H5	115.793	F4	C2	H6	113.962

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.145
2	C	0.229
3	Cl	-0.058
4	F	-0.164
5	H	0.087
6	H	0.050

	x	y	z	Total
	0.204	-0.158	0.000	0.258
CHELPG
AIM
ESP

	x	y	z
x	7.053	-0.326	0.000
y	-0.326	4.248	0.000
z	0.000	0.000	2.266

<r²>	125.108
(<r²>)^1/2	11.185