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	hartrees
Energy at 0K	-1195.641940
Energy at 298.15K	-1195.645458
HF Energy	-1194.716186
Nuclear repulsion energy	376.292159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3147	3027
2	A	1433	1379
3	A	1344	1293
4	A	1162	1118
5	A	1109	1067
6	A	862	830
7	A	465	447
8	A	317	305
9	A	166	160
10	A	85	82
11	B	3157	3038
12	B	1376	1324
13	B	1273	1225
14	B	1118	1076
15	B	850	818
16	B	436	420
17	B	392	377
18	B	343	330

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.726	0.392
C2	0.232	-0.726	0.392
H3	-1.324	0.793	0.367
H4	1.324	-0.793	0.367
F5	0.232	1.282	1.559
F6	-0.232	-1.282	1.559
Cl7	0.434	1.623	-0.985
Cl8	-0.434	-1.623	-0.985

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5252	1.0941	2.1753	1.3737	2.3230	1.7732	2.7307
C2	1.5252		2.1753	1.0941	2.3230	1.3737	2.7307	1.7732
H3	1.0941	2.1753		3.0870	2.0206	2.6308	2.3679	2.9083
H4	2.1753	1.0941	3.0870		2.6308	2.0206	2.9083	2.3679
F5	1.3737	2.3230	2.0206	2.6308		2.6059	2.5749	3.9188
F6	2.3230	1.3737	2.6308	2.0206	2.6059		3.9188	2.5749
Cl7	1.7732	2.7307	2.3679	2.9083	2.5749	3.9188		3.3602
Cl8	2.7307	1.7732	2.9083	2.3679	3.9188	2.5749	3.3602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.232	C1	C2	F6	106.401
C1	C2	Cl8	111.544	C2	C1	H3	111.232
C2	C1	F5	106.401	C2	C1	Cl7	111.544
H3	C1	F5	109.408	H3	C1	Cl7	109.035
H4	C2	F6	109.408	H4	C2	Cl8	109.035
F5	C1	Cl7	109.159	F6	C2	Cl8	109.159

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: CCSD(T)/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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