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	hartrees
Energy at 0K	-1181.363412
Energy at 298.15K	-1181.366467
HF Energy	-1181.199702
Nuclear repulsion energy	362.189884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3380	3005	0.00
2	A_g	1524	1355	0.00
3	A_g	1388	1234	0.00
4	A_g	1257	1117	0.00
5	A_g	1108	985	0.00
6	A_g	887	788	0.00
7	A_g	519	461	0.00
8	A_g	372	331	0.00
9	A_g	248	220	0.00
10	A_u	3385	3009	2.20
11	A_u	1424	1266	45.85
12	A_u	1301	1157	48.96
13	A_u	1268	1128	72.44
14	A_u	849	755	118.00
15	A_u	392	349	7.79
16	A_u	369	328	21.60
17	A_u	145	129	3.11
18	A_u	49	43	2.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
C2	0.000	0.000	0.802
H3	1.054	0.000	-1.185
H4	-1.054	0.000	1.185
F5	-0.721	-1.067	-1.302
F6	0.721	1.067	1.302
Cl7	-0.755	1.606	-1.355
Cl8	0.755	-1.606	1.355

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.6035	1.1214	2.2492	1.3815	2.4664	1.8593	2.7935
C2	1.6035		2.2492	1.1214	2.4664	1.3815	2.7935	1.8593
H3	1.1214	2.2492		3.1720	2.0742	2.7267	2.4252	3.0206
H4	2.2492	1.1214	3.1720		2.7267	2.0742	3.0206	2.4252
F5	1.3815	2.4664	2.0742	2.7267		3.6623	2.6741	3.0872
F6	2.4664	1.3815	2.7267	2.0742	3.6623		3.0872	2.6741
Cl7	1.8593	2.7935	2.4252	3.0206	2.6741	3.0872		4.4665
Cl8	2.7935	1.8593	3.0206	2.4252	3.0872	2.6741	4.4665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.997	C1	C2	F6	111.218
C1	C2	Cl8	107.325	C2	C1	H3	109.997
C2	C1	F5	111.218	C2	C1	Cl7	107.325
H3	C1	F5	111.507	H3	C1	Cl7	106.256
H4	C2	F6	111.507	H4	C2	Cl8	106.256
F5	C1	Cl7	110.335	F6	C2	Cl8	110.335

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: MP2=FULL/STO-3G

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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