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	hartrees
Energy at 0K	-1194.426755
Energy at 298.15K	-1194.427227
HF Energy	-1193.503881
Nuclear repulsion energy	348.148125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1764	1685
2	A_g	1227	1172
3	A_g	635	606
4	A_g	428	409
5	A_g	291	278
6	A_u	359	343
7	A_u	134	128
8	B_g	499	476
9	B_u	1244	1188
10	B_u	900	859
11	B_u	426	407
12	B_u	177	169

Atom	x (Å)	y (Å)
C1	-0.058	0.669
C2	0.058	-0.669
F3	-1.270	1.250
F4	1.270	-1.250
Cl5	1.270	1.749
Cl6	-1.270	-1.749

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3426	1.3440	2.3335	1.7117	2.7046
C2	1.3426		2.3335	1.3440	2.7046	1.7117
F3	1.3440	2.3335		3.5637	2.5878	2.9994
F4	2.3335	1.3440	3.5637		2.9994	2.5878
Cl5	1.7117	2.7046	2.5878	2.9994		4.3228
Cl6	2.7046	1.7117	2.9994	2.5878	4.3228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.587	C1	C2	Cl6	124.188
C2	C1	F3	120.587	C2	C1	Cl5	124.188
F3	C1	Cl5	115.225	F4	C2	Cl6	115.225

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

using model chemistry: MP4/6-31G*

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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