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	hartrees
Energy at 0K	-1196.262624
Energy at 298.15K	-1196.263175
HF Energy	-1196.262624
Nuclear repulsion energy	351.285552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1808	1730	0.00
2	A_g	1225	1172	0.00
3	A_g	652	624	0.00
4	A_g	433	414	0.00
5	A_g	288	275	0.00
6	A_u	370	354	0.90
7	A_u	136	130	0.35
8	B_g	563	538	0.00
9	B_u	1254	1200	339.59
10	B_u	911	871	197.76
11	B_u	429	411	3.46
12	B_u	165	158	2.23

Atom	x (Å)	y (Å)
C1	-0.058	0.663
C2	0.058	-0.663
F3	-1.253	1.241
F4	1.253	-1.241
Cl5	1.253	1.742
Cl6	-1.253	-1.742

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3306	1.3276	2.3113	1.6983	2.6854
C2	1.3306		2.3113	1.3276	2.6854	1.6983
F3	1.3276	2.3113		3.5268	2.5563	2.9824
F4	2.3113	1.3276	3.5268		2.9824	2.5563
Cl5	1.6983	2.6854	2.5563	2.9824		4.2919
Cl6	2.6854	1.6983	2.9824	2.5563	4.2919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.799	C1	C2	Cl6	124.449
C2	C1	F3	120.799	C2	C1	Cl5	124.449
F3	C1	Cl5	114.752	F4	C2	Cl6	114.752

All results from a given calculation for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: B1B95/6-31+G**

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	0.063
2	C	0.063
3	F	-0.245
4	F	-0.245
5	Cl	0.181
6	Cl	0.181

	x	y	z
x	7.485	2.077	0.000
y	2.077	9.684	0.000
z	0.000	0.000	4.316

<r²>	246.350
(<r²>)^1/2	15.696