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	hartrees
Energy at 0K	-637.472192
Energy at 298.15K	-637.474289
HF Energy	-637.472192
Nuclear repulsion energy	140.671156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3129	8.97
2	A'	3242	3112	6.53
3	A'	1740	1670	26.95
4	A'	1323	1270	0.04
5	A'	1240	1191	0.69
6	A'	1176	1129	195.78
7	A'	894	858	62.30
8	A'	455	437	1.94
9	A'	270	259	6.02
10	A"	936	899	64.93
11	A"	821	788	16.05
12	A"	277	266	1.38

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.022	-0.363
Cl3	-1.627	-0.096
F4	2.274	0.097
H5	0.116	1.544
H6	0.952	-1.441

	C1	C2	Cl3	F4	H5	H6
C1		1.3194	1.7234	2.3044	1.0783	2.1368
C2	1.3194		2.6627	1.3332	2.1106	1.0807
Cl3	1.7234	2.6627		3.9056	2.3934	2.9093
F4	2.3044	1.3332	3.9056		2.5978	2.0274
H5	1.0783	2.1106	2.3934	2.5978		3.0997
H6	2.1368	1.0807	2.9093	2.0274	3.0997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.626	C1	C2	H6	125.529
C2	C1	Cl3	121.544	C2	C1	H5	123.036
Cl3	C1	H5	115.420	F4	C2	H6	113.845

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

using model chemistry: B1B95/6-311G**

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	-0.289
2	C	0.195
3	Cl	-0.036
4	F	-0.203
5	H	0.193
6	H	0.140

	x	y	z	Total
	0.200	-0.210	0.000	0.290
CHELPG
AIM
ESP

	x	y	z
x	7.206	-0.278	0.000
y	-0.278	4.203	0.000
z	0.000	0.000	2.379

<r²>	124.253
(<r²>)^1/2	11.147