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	hartrees
Energy at 0K	-1195.999154
Energy at 298.15K	-1196.002738
HF Energy	-1194.877733
Nuclear repulsion energy	376.077998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3200	2988	0.00
2	A_g	1461	1364	0.00
3	A_g	1382	1290	0.00
4	A_g	1178	1100	0.00
5	A_g	1125	1051	0.00
6	A_g	869	812	0.00
7	A_g	534	499	0.00
8	A_g	388	362	0.00
9	A_g	275	257	0.00
10	A_u	3212	2999	10.28
11	A_u	1378	1287	28.06
12	A_u	1294	1208	40.32
13	A_u	1174	1097	255.76
14	A_u	814	760	185.96
15	A_u	416	388	4.77
16	A_u	384	359	30.83
17	A_u	176	164	1.17
18	A_u	75	70	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.012	0.000	-1.151
H4	-1.012	0.000	1.151
F5	-0.655	-1.098	-1.202
F6	0.655	1.098	1.202
Cl7	-0.832	1.455	-1.358
Cl8	0.832	-1.455	1.358

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5231	1.0847	2.1641	1.3526	2.3436	1.7790	2.7020
C2	1.5231		2.1641	1.0847	2.3436	1.3526	2.7020	1.7790
H3	1.0847	2.1641		3.0660	1.9971	2.6217	2.3580	2.9061
H4	2.1641	1.0847	3.0660		2.6217	1.9971	2.9061	2.3580
F5	1.3526	2.3436	1.9971	2.6217		3.5105	2.5641	2.9821
F6	2.3436	1.3526	2.6217	1.9971	3.5105		2.9821	2.5641
Cl7	1.7790	2.7020	2.3580	2.9061	2.5641	2.9821		4.3141
Cl8	2.7020	1.7790	2.9061	2.3580	2.9821	2.5641	4.3141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.062	C1	C2	F6	109.024
C1	C2	Cl8	109.581	C2	C1	H3	111.062
C2	C1	F5	109.024	C2	C1	Cl7	109.581
H3	C1	F5	109.565	H3	C1	Cl7	108.413
H4	C2	F6	109.565	H4	C2	Cl8	108.413
F5	C1	Cl7	109.170	F6	C2	Cl8	109.170

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

using model chemistry: MP3=FULL/TZVP

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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