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	hartrees
Energy at 0K	-1188.162976
Energy at 298.15K	-1188.163324
HF Energy	-1187.621108
Nuclear repulsion energy	338.364634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1813	1757	0.00
2	A_g	1179	1142	0.00
3	A_g	602	583	0.00
4	A_g	382	370	0.00
5	A_g	265	256	0.00
6	A_u	361	350	4.23
7	A_u	134	130	0.01
8	B_g	573	556	0.00
9	B_u	1255	1217	161.04
10	B_u	776	752	126.03
11	B_u	379	368	2.29
12	B_u	164	159	4.13

Atom	x (Å)	y (Å)
C1	-0.093	0.655
C2	0.093	-0.655
F3	-1.322	1.241
F4	1.322	-1.241
Cl5	1.322	1.800
Cl6	-1.322	-1.800

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3238	1.3613	2.3663	1.8203	2.7458
C2	1.3238		2.3663	1.3613	2.7458	1.8203
F3	1.3613	2.3663		3.6266	2.7023	3.0414
F4	2.3663	1.3613	3.6266		3.0414	2.7023
Cl5	1.8203	2.7458	2.7023	3.0414		4.4669
Cl6	2.7458	1.8203	3.0414	2.7023	4.4669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.590	C1	C2	Cl6	120.878
C2	C1	F3	123.590	C2	C1	Cl5	120.878
F3	C1	Cl5	115.532	F4	C2	Cl6	115.532

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

using model chemistry: QCISD/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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