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	hartrees
Energy at 0K	-90.068697
Energy at 298.15K	-90.072146
HF Energy	-89.233748
Nuclear repulsion energy	135.471649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3195	3033	0.00
2	A_g	1429	1357	0.00
3	A_g	1342	1274	0.00
4	A_g	1145	1087	0.00
5	A_g	1087	1032	0.00
6	A_g	861	818	0.00
7	A_g	514	488	0.00
8	A_g	377	358	0.00
9	A_g	271	258	0.00
10	A_u	3205	3043	22.86
11	A_u	1335	1267	27.06
12	A_u	1260	1197	40.13
13	A_u	1117	1060	285.11
14	A_u	816	775	201.29
15	A_u	402	382	4.70
16	A_u	370	351	32.57
17	A_u	173	164	1.32
18	A_u	72	68	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.774
C2	0.000	0.000	0.774
H3	1.024	0.000	-1.179
H4	-1.024	0.000	1.179
F5	-0.661	-1.131	-1.208
F6	0.661	1.131	1.208
Cl7	-0.859	1.443	-1.370
Cl8	0.859	-1.443	1.370

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5471	1.1009	2.2045	1.3802	2.3756	1.7822	2.7228
C2	1.5471		2.2045	1.1009	2.3756	1.3802	2.7228	1.7822
H3	1.1009	2.2045		3.1226	2.0294	2.6662	2.3797	2.9335
H4	2.2045	1.1009	3.1226		2.6662	2.0294	2.9335	2.3797
F5	1.3802	2.3756	2.0294	2.6662		3.5642	2.5868	3.0089
F6	2.3756	1.3802	2.6662	2.0294	3.5642		3.0089	2.5868
Cl7	1.7822	2.7228	2.3797	2.9335	2.5868	3.0089		4.3344
Cl8	2.7228	1.7822	2.9335	2.3797	3.0089	2.5868	4.3344

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.612	C1	C2	F6	108.357
C1	C2	Cl8	109.538	C2	C1	H3	111.612
C2	C1	F5	108.357	C2	C1	Cl7	109.538
H3	C1	F5	109.237	H3	C1	Cl7	108.957
H4	C2	F6	109.237	H4	C2	Cl8	108.957
F5	C1	Cl7	109.104	F6	C2	Cl8	109.104

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

using model chemistry: MP2/CEP-31G*

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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