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	hartrees
Energy at 0K	-1195.686158
Energy at 298.15K	-1195.686699
HF Energy	-1195.392476
Nuclear repulsion energy	349.499134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1792	1792	0.00
2	A_g	1229	1229	0.00
3	A_g	645	645	0.00
4	A_g	430	430	0.00
5	A_g	293	293	0.00
6	A_u	368	368	1.55
7	A_u	136	136	0.11
8	B_g	536	536	0.00
9	B_u	1260	1260	287.03
10	B_u	894	894	184.64
11	B_u	428	428	2.40
12	B_u	178	178	2.45

Atom	x (Å)	y (Å)
C1	-0.063	0.664
C2	0.063	-0.664
F3	-1.263	1.243
F4	1.263	-1.243
Cl5	1.263	1.747
Cl6	-1.263	-1.747

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3340	1.3322	2.3229	1.7125	2.6926
C2	1.3340		2.3229	1.3322	2.6926	1.7125
F3	1.3322	2.3229		3.5443	2.5766	2.9892
F4	2.3229	1.3322	3.5443		2.9892	2.5766
Cl5	1.7125	2.6926	2.5766	2.9892		4.3112
Cl6	2.6926	1.7125	2.9892	2.5766	4.3112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.210	C1	C2	Cl6	123.748
C2	C1	F3	121.210	C2	C1	Cl5	123.748
F3	C1	Cl5	115.042	F4	C2	Cl6	115.042

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

using model chemistry: B2PLYP=FULL/6-31G**

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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