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	hartrees
Energy at 0K	-1195.688044
Energy at 298.15K	-1195.691621
HF Energy	-1194.735775
Nuclear repulsion energy	376.412529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3236	3015	0.00
2	A_g	1452	1353	0.00
3	A_g	1383	1288	0.00
4	A_g	1172	1092	0.00
5	A_g	1117	1040	0.00
6	A_g	883	823	0.00
7	A_g	529	493	0.00
8	A_g	388	362	0.00
9	A_g	279	259	0.00
10	A_u	3247	3025	7.81
11	A_u	1363	1270	36.38
12	A_u	1300	1211	30.13
13	A_u	1147	1068	252.02
14	A_u	832	775	182.03
15	A_u	414	386	6.43
16	A_u	381	355	30.45
17	A_u	177	165	1.15
18	A_u	79	74	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.010	0.000	-1.157
H4	-1.010	0.000	1.157
F5	-0.648	-1.130	-1.187
F6	0.648	1.130	1.187
Cl7	-0.856	1.416	-1.368
Cl8	0.856	-1.416	1.368

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5219	1.0845	2.1675	1.3711	2.3435	1.7626	2.6964
C2	1.5219		2.1675	1.0845	2.3435	1.3711	2.6964	1.7626
H3	1.0845	2.1675		3.0713	2.0070	2.6272	2.3518	2.8990
H4	2.1675	1.0845	3.0713		2.6272	2.0070	2.8990	2.3518
F5	1.3711	2.3435	2.0070	2.6272		3.5253	2.5615	2.9785
F6	2.3435	1.3711	2.6272	2.0070	3.5253		2.9785	2.5615
Cl7	1.7626	2.6964	2.3518	2.8990	2.5615	2.9785		4.2939
Cl8	2.6964	1.7626	2.8990	2.3518	2.9785	2.5615	4.2939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.422	C1	C2	F6	108.093
C1	C2	Cl8	110.142	C2	C1	H3	111.422
C2	C1	F5	108.093	C2	C1	Cl7	110.142
H3	C1	F5	109.079	H3	C1	Cl7	109.051
H4	C2	F6	109.079	H4	C2	Cl8	109.051
F5	C1	Cl7	109.012	F6	C2	Cl8	109.012

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

using model chemistry: MP3=FULL/6-31+G**

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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