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	hartrees
Energy at 0K	-1189.391673
Energy at 298.15K	-1189.394758
HF Energy	-1188.834835
Nuclear repulsion energy	361.438018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3166	3071
2	A_g	1426	1383
3	A_g	1299	1260
4	A_g	1126	1092
5	A_g	1049	1018
6	A_g	729	707
7	A_g	477	462
8	A_g	320	310
9	A_g	246	238
10	A_u	3180	3084
11	A_u	1335	1294
12	A_u	1238	1201
13	A_u	1139	1104
14	A_u	667	647
15	A_u	343	332
16	A_u	325	315
17	A_u	153	148
18	A_u	65	63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.006	0.000	-1.180
H4	-1.006	0.000	1.180
F5	-0.782	-1.051	-1.236
F6	0.782	1.051	1.236
Cl7	-0.787	1.659	-1.319
Cl8	0.787	-1.659	1.319

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5221	1.0894	2.1858	1.3936	2.3882	1.9190	2.7743
C2	1.5221		2.1858	1.0894	2.3882	1.3936	2.7743	1.9190
H3	1.0894	2.1858		3.1003	2.0747	2.6437	2.4466	3.0069
H4	2.1858	1.0894	3.1003		2.6437	2.0747	3.0069	2.4466
F5	1.3936	2.3882	2.0747	2.6437		3.6021	2.7118	3.0585
F6	2.3882	1.3936	2.6437	2.0747	3.6021		3.0585	2.7118
Cl7	1.9190	2.7743	2.4466	3.0069	2.7118	3.0585		4.5213
Cl8	2.7743	1.9190	3.0069	2.4466	3.0585	2.7118	4.5213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.596	C1	C2	F6	109.911
C1	C2	Cl8	106.889	C2	C1	H3	112.596
C2	C1	F5	109.911	C2	C1	Cl7	106.889
H3	C1	F5	112.775	H3	C1	Cl7	105.484
H4	C2	F6	112.775	H4	C2	Cl8	105.484
F5	C1	Cl7	108.862	F6	C2	Cl8	108.862

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

using model chemistry: MP4/3-21G

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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