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	hartrees
Energy at 0K	-1195.846964
Energy at 298.15K	-1195.850469
HF Energy	-1194.807818
Nuclear repulsion energy	374.108805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3183	3183	0.00
2	A_g	1422	1422	0.00
3	A_g	1322	1322	0.00
4	A_g	1159	1159	0.00
5	A_g	1099	1099	0.00
6	A_g	844	844	0.00
7	A_g	521	521	0.00
8	A_g	380	380	0.00
9	A_g	273	273	0.00
10	A_u	3192	3192	6.56
11	A_u	1328	1328	17.11
12	A_u	1242	1242	35.15
13	A_u	1137	1137	233.61
14	A_u	797	797	192.22
15	A_u	406	406	4.01
16	A_u	371	371	27.12
17	A_u	172	172	0.78
18	A_u	73	73	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.018	0.000	-1.170
H4	-1.018	0.000	1.170
F5	-0.674	-1.107	-1.205
F6	0.674	1.107	1.205
Cl7	-0.840	1.458	-1.359
Cl8	0.840	-1.458	1.359

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5291	1.0961	2.1861	1.3684	2.3575	1.7844	2.7094
C2	1.5291		2.1861	1.0961	2.3575	1.3684	2.7094	1.7844
H3	1.0961	2.1861		3.1021	2.0223	2.6426	2.3696	2.9245
H4	2.1861	1.0961	3.1021		2.6426	2.0223	2.9245	2.3696
F5	1.3684	2.3575	2.0223	2.6426		3.5387	2.5741	2.9985
F6	2.3575	1.3684	2.6426	2.0223	3.5387		2.9985	2.5741
Cl7	1.7844	2.7094	2.3696	2.9245	2.5741	2.9985		4.3257
Cl8	2.7094	1.7844	2.9245	2.3696	2.9985	2.5741	4.3257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.702	C1	C2	F6	108.775
C1	C2	Cl8	109.469	C2	C1	H3	111.702
C2	C1	F5	108.775	C2	C1	Cl7	109.469
H3	C1	F5	109.787	H3	C1	Cl7	108.315
H4	C2	F6	109.787	H4	C2	Cl8	108.315
F5	C1	Cl7	108.745	F6	C2	Cl8	108.745

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

using model chemistry: MP3=FULL/aug-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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