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	hartrees
Energy at 0K	-632.736047
Energy at 298.15K	-632.738315
HF Energy	-632.736047
Nuclear repulsion energy	140.231798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3445	3109	4.11
2	A'	3442	3107	7.70
3	A'	1890	1706	25.25
4	A'	1476	1332	0.71
5	A'	1378	1244	4.19
6	A'	1230	1110	131.09
7	A'	913	824	53.11
8	A'	475	428	2.22
9	A'	300	271	9.25
10	A"	1095	989	67.95
11	A"	998	901	41.06
12	A"	303	274	4.88

Atom	x (Å)	y (Å)
C1	0.000	0.470
C2	1.014	-0.350
Cl3	-1.633	-0.111
F4	2.290	0.117
H5	0.115	1.530
H6	0.944	-1.414

	C1	C2	Cl3	F4	H5	H6
C1		1.3040	1.7331	2.3174	1.0662	2.1071
C2	1.3040		2.6578	1.3584	2.0836	1.0664
Cl3	1.7331	2.6578		3.9296	2.3975	2.8875
F4	2.3174	1.3584	3.9296		2.5941	2.0379
H5	1.0662	2.0836	2.3975	2.5941		3.0582
H6	2.1071	1.0664	2.8875	2.0379	3.0582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.997	C1	C2	H6	125.174
C2	C1	Cl3	121.471	C2	C1	H5	122.743
Cl3	C1	H5	115.786	F4	C2	H6	113.829

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

using model chemistry: HF/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	-0.434
2	C	0.234
3	Cl	0.010
4	F	-0.380
5	H	0.303
6	H	0.267

	x	y	z	Total
	-0.056	-0.304	0.000	0.309
CHELPG
AIM
ESP

	x	y	z
x	6.397	-0.431	0.000
y	-0.431	3.706	0.000
z	0.000	0.000	1.605

<r²>	125.488
(<r²>)^1/2	11.202