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	hartrees
Energy at 0K	-1181.735229
Energy at 298.15K	-1181.735224
HF Energy	-1181.667014
Nuclear repulsion energy	337.311500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1813	1813	0.00
2	A_g	1299	1299	0.00
3	A_g	647	647	0.00
4	A_g	410	410	0.00
5	A_g	259	259	0.00
6	A_u	347	347	2.53
7	A_u	131	131	1.40
8	B_g	447	447	0.00
9	B_u	1378	1378	130.04
10	B_u	881	881	128.44
11	B_u	397	397	2.83
12	B_u	145	145	3.01

Atom	x (Å)	y (Å)
C1	-0.105	0.676
C2	0.105	-0.676
F3	-1.323	1.270
F4	1.323	-1.270
Cl5	1.323	1.796
Cl6	-1.323	-1.796

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3674	1.3546	2.4133	1.8148	2.7549
C2	1.3674		2.4133	1.3546	2.7549	1.8148
F3	1.3546	2.4133		3.6671	2.6968	3.0658
F4	2.4133	1.3546	3.6671		3.0658	2.6968
Cl5	1.8148	2.7549	2.6968	3.0658		4.4604
Cl6	2.7549	1.8148	3.0658	2.6968	4.4604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.885	C1	C2	Cl6	119.261
C2	C1	F3	124.885	C2	C1	Cl5	119.261
F3	C1	Cl5	115.854	F4	C2	Cl6	115.854

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

using model chemistry: B2PLYP/STO-3G

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	0.121
2	C	0.121
3	F	-0.021
4	F	-0.021
5	Cl	-0.099
6	Cl	-0.099

	x	y	z
x	4.492	1.637	0.000
y	1.637	5.553	0.000
z	0.000	0.000	0.508

<r²>	262.236
(<r²>)^1/2	16.194