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	hartrees
Energy at 0K	-1194.871169
Energy at 298.15K	-1194.871761
HF Energy	-1193.689786
Nuclear repulsion energy	351.285961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1762	1673	0.00
2	A_g	1225	1163	0.00
3	A_g	647	615	0.00
4	A_g	435	413	0.00
5	A_g	292	278	0.00
6	A_u	373	354	0.50
7	A_u	137	130	0.26
8	B_g	548	521	0.00
9	B_u	1259	1195	282.53
10	B_u	909	863	170.79
11	B_u	432	410	3.05
12	B_u	178	169	1.98

Atom	x (Å)	y (Å)
C1	-0.063	0.665
C2	0.063	-0.665
F3	-1.257	1.240
F4	1.257	-1.240
Cl5	1.257	1.735
Cl6	-1.257	-1.735

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3363	1.3252	2.3181	1.6994	2.6804
C2	1.3363		2.3181	1.3252	2.6804	1.6994
F3	1.3252	2.3181		3.5318	2.5627	2.9747
F4	2.3181	1.3252	3.5318		2.9747	2.5627
Cl5	1.6994	2.6804	2.5627	2.9747		4.2848
Cl6	2.6804	1.6994	2.9747	2.5627	4.2848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.146	C1	C2	Cl6	123.570
C2	C1	F3	121.146	C2	C1	Cl5	123.570
F3	C1	Cl5	115.284	F4	C2	Cl6	115.284

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

using model chemistry: MP2/cc-pVTZ

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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