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	hartrees
Energy at 0K	-1195.779587
Energy at 298.15K	-1195.783043
HF Energy	-1194.777318
Nuclear repulsion energy	373.718472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3136	3027
2	A_g	1405	1356
3	A_g	1310	1265
4	A_g	1143	1104
5	A_g	1087	1049
6	A_g	836	806
7	A_g	514	497
8	A_g	374	361
9	A_g	272	262
10	A_u	3146	3037
11	A_u	1320	1274
12	A_u	1228	1185
13	A_u	1130	1090
14	A_u	783	756
15	A_u	400	386
16	A_u	364	352
17	A_u	172	166
18	A_u	73	70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.766
C2	0.000	0.000	0.766
H3	1.030	0.000	-1.159
H4	-1.030	0.000	1.159
F5	-0.670	-1.104	-1.211
F6	0.670	1.104	1.211
Cl7	-0.821	1.474	-1.356
Cl8	0.821	-1.474	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5320	1.1023	2.1832	1.3660	2.3615	1.7875	2.7113
C2	1.5320		2.1832	1.1023	2.3615	1.3660	2.7113	1.7875
H3	1.1023	2.1832		3.1009	2.0277	2.6392	2.3743	2.9229
H4	2.1832	1.1023	3.1009		2.6392	2.0277	2.9229	2.3743
F5	1.3660	2.3615	2.0277	2.6392		3.5410	2.5864	2.9921
F6	2.3615	1.3660	2.6392	2.0277	3.5410		2.9921	2.5864
Cl7	1.7875	2.7113	2.3743	2.9229	2.5864	2.9921		4.3296
Cl8	2.7113	1.7875	2.9229	2.3743	2.9921	2.5864	4.3296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.888	C1	C2	F6	109.018
C1	C2	Cl8	109.282	C2	C1	H3	110.888
C2	C1	F5	109.018	C2	C1	Cl7	109.282
H3	C1	F5	110.011	H3	C1	Cl7	108.144
H4	C2	F6	110.011	H4	C2	Cl8	108.144
F5	C1	Cl7	109.477	F6	C2	Cl8	109.477

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

using model chemistry: MP4=FULL/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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