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	hartrees
Energy at 0K	-1196.149472
Energy at 298.15K	-1196.153026
HF Energy	-1194.905360
Nuclear repulsion energy	376.884437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3157	2972	0.00
2	A_g	1441	1356	0.00
3	A_g	1339	1260	0.00
4	A_g	1172	1103	0.00
5	A_g	1119	1053	0.00
6	A_g	856	805	0.00
7	A_g	530	499	0.00
8	A_g	384	361	0.00
9	A_g	275	259	0.00
10	A_u	3169	2982	10.10
11	A_u	1355	1276	18.41
12	A_u	1259	1185	38.67
13	A_u	1171	1103	243.49
14	A_u	806	758	191.85
15	A_u	411	387	3.40
16	A_u	376	354	26.45
17	A_u	176	165	0.92
18	A_u	75	71	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.013	0.000	-1.152
H4	-1.013	0.000	1.152
F5	-0.664	-1.091	-1.202
F6	0.664	1.091	1.202
Cl7	-0.819	1.458	-1.350
Cl8	0.819	-1.458	1.350

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5224	1.0857	2.1650	1.3514	2.3422	1.7732	2.6936
C2	1.5224		2.1650	1.0857	2.3422	1.3514	2.6936	1.7732
H3	1.0857	2.1650		3.0682	2.0015	2.6181	2.3499	2.9027
H4	2.1650	1.0857	3.0682		2.6181	2.0015	2.9027	2.3499
F5	1.3514	2.3422	2.0015	2.6181		3.5081	2.5586	2.9745
F6	2.3422	1.3514	2.6181	2.0015	3.5081		2.9745	2.5586
Cl7	1.7732	2.6936	2.3499	2.9027	2.5586	2.9745		4.2990
Cl8	2.6936	1.7732	2.9027	2.3499	2.9745	2.5586	4.2990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.109	C1	C2	F6	109.031
C1	C2	Cl8	109.397	C2	C1	H3	111.109
C2	C1	F5	109.031	C2	C1	Cl7	109.397
H3	C1	F5	109.943	H3	C1	Cl7	108.141
H4	C2	F6	109.943	H4	C2	Cl8	108.141
F5	C1	Cl7	109.192	F6	C2	Cl8	109.192

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

using model chemistry: CCSD/cc-pVTZ

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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