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	hartrees
Energy at 0K	-1188.084700
Energy at 298.15K	-1188.085236
HF Energy	-1187.624229
Nuclear repulsion energy	341.972240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1908	1777	0.00
2	A_g	1236	1152	0.00
3	A_g	633	590	0.00
4	A_g	405	378	0.00
5	A_g	278	259	0.00
6	A_u	384	358	5.31
7	A_u	142	133	0.05
8	B_g	633	589	0.00
9	B_u	1307	1218	189.28
10	B_u	823	767	139.26
11	B_u	398	370	2.69
12	B_u	172	160	4.44

Atom	x (Å)	y (Å)
C1	-0.088	0.649
C2	0.088	-0.649
F3	-1.306	1.232
F4	1.306	-1.232
Cl5	1.306	1.783
Cl6	-1.306	-1.783

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3098	1.3499	2.3411	1.7970	2.7198
C2	1.3098		2.3411	1.3499	2.7198	1.7970
F3	1.3499	2.3411		3.5904	2.6688	3.0153
F4	2.3411	1.3499	3.5904		3.0153	2.6688
Cl5	1.7970	2.7198	2.6688	3.0153		4.4201
Cl6	2.7198	1.7970	3.0153	2.6688	4.4201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.331	C1	C2	Cl6	121.402
C2	C1	F3	123.331	C2	C1	Cl5	121.402
F3	C1	Cl5	115.267	F4	C2	Cl6	115.267

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

using model chemistry: CID/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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