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	hartrees
Energy at 0K	-1195.723878
Energy at 298.15K	-1195.727420
HF Energy	-1194.778409
Nuclear repulsion energy	374.957826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3182	3016	0.00
2	A_g	1438	1363	0.00
3	A_g	1335	1266	0.00
4	A_g	1178	1117	0.00
5	A_g	1121	1062	0.00
6	A_g	855	811	0.00
7	A_g	528	500	0.00
8	A_g	384	364	0.00
9	A_g	276	262	0.00
10	A_u	3192	3025	15.04
11	A_u	1348	1278	32.04
12	A_u	1250	1185	42.14
13	A_u	1180	1119	259.13
14	A_u	805	763	186.93
15	A_u	411	389	3.67
16	A_u	373	353	29.40
17	A_u	175	166	1.35
18	A_u	75	71	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.027	0.000	-1.156
H4	-1.027	0.000	1.156
F5	-0.668	-1.094	-1.207
F6	0.668	1.094	1.207
Cl7	-0.818	1.470	-1.356
Cl8	0.818	-1.470	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5301	1.0989	2.1785	1.3562	2.3524	1.7833	2.7076
C2	1.5301		2.1785	1.0989	2.3524	1.3562	2.7076	1.7833
H3	1.0989	2.1785		3.0929	2.0180	2.6292	2.3676	2.9186
H4	2.1785	1.0989	3.0929		2.6292	2.0180	2.9186	2.3676
F5	1.3562	2.3524	2.0180	2.6292		3.5220	2.5732	2.9870
F6	2.3524	1.3562	2.6292	2.0180	3.5220		2.9870	2.5732
Cl7	1.7833	2.7076	2.3676	2.9186	2.5732	2.9870		4.3222
Cl8	2.7076	1.7833	2.9186	2.3676	2.9870	2.5732	4.3222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.849	C1	C2	F6	109.032
C1	C2	Cl8	109.369	C2	C1	H3	110.849
C2	C1	F5	109.032	C2	C1	Cl7	109.369
H3	C1	F5	110.128	H3	C1	Cl7	108.099
H4	C2	F6	110.128	H4	C2	Cl8	108.099
F5	C1	Cl7	109.340	F6	C2	Cl8	109.340

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

using model chemistry: MP3/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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