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	hartrees
Energy at 0K	-1194.494926
Energy at 298.15K	-1194.495523
HF Energy	-1193.564336
Nuclear repulsion energy	348.422395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1819	1723	0.00
2	A_g	1250	1184	0.00
3	A_g	647	613	0.00
4	A_g	433	410	0.00
5	A_g	293	278	0.00
6	A_u	380	360	1.60
7	A_u	138	130	0.19
8	B_g	556	527	0.00
9	B_u	1268	1201	300.54
10	B_u	901	854	168.37
11	B_u	429	407	3.54
12	B_u	179	169	2.44

Atom	x (Å)	y (Å)
C1	-0.068	0.667
C2	0.068	-0.667
F3	-1.266	1.247
F4	1.266	-1.247
Cl5	1.266	1.754
Cl6	-1.266	-1.754

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3412	1.3312	2.3330	1.7202	2.7017
C2	1.3412		2.3330	1.3312	2.7017	1.7202
F3	1.3312	2.3330		3.5540	2.5818	3.0014
F4	2.3330	1.3312	3.5540		3.0014	2.5818
Cl5	1.7202	2.7017	2.5818	3.0014		4.3264
Cl6	2.7017	1.7202	3.0014	2.5818	4.3264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.610	C1	C2	Cl6	123.411
C2	C1	F3	121.610	C2	C1	Cl5	123.411
F3	C1	Cl5	114.979	F4	C2	Cl6	114.979

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

using model chemistry: CCSD/cc-pVDZ

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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