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	hartrees
Energy at 0K	-1195.759995
Energy at 298.15K	-1195.763445
HF Energy	-1194.777129
Nuclear repulsion energy	373.418088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3132	3028
2	A_g	1403	1356
3	A_g	1309	1266
4	A_g	1142	1104
5	A_g	1086	1050
6	A_g	835	807
7	A_g	514	497
8	A_g	374	361
9	A_g	271	262
10	A_u	3142	3038
11	A_u	1319	1275
12	A_u	1227	1186
13	A_u	1129	1092
14	A_u	782	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	-0.767
C2	0.000	0.000	0.767
H3	1.031	0.000	-1.161
H4	-1.031	0.000	1.161
F5	-0.671	-1.104	-1.212
F6	0.671	1.104	1.212
Cl7	-0.821	1.476	-1.357
Cl8	0.821	-1.476	1.357

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5335	1.1032	2.1855	1.3666	2.3633	1.7893	2.7137
C2	1.5335		2.1855	1.1032	2.3633	1.3666	2.7137	1.7893
H3	1.1032	2.1855		3.1041	2.0291	2.6415	2.3762	2.9259
H4	2.1855	1.1032	3.1041		2.6415	2.0291	2.9259	2.3762
F5	1.3666	2.3633	2.0291	2.6415		3.5431	2.5882	2.9946
F6	2.3633	1.3666	2.6415	2.0291	3.5431		2.9946	2.5882
Cl7	1.7893	2.7137	2.3762	2.9259	2.5882	2.9946		4.3335
Cl8	2.7137	1.7893	2.9259	2.3762	2.9946	2.5882	4.3335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.912	C1	C2	F6	109.022
C1	C2	Cl8	109.269	C2	C1	H3	110.912
C2	C1	F5	109.022	C2	C1	Cl7	109.269
H3	C1	F5	110.026	H3	C1	Cl7	108.122
H4	C2	F6	110.026	H4	C2	Cl8	108.122
F5	C1	Cl7	109.469	F6	C2	Cl8	109.469

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

using model chemistry: MP4/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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