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	hartrees
Energy at 0K	-1195.743078
Energy at 298.15K	-1195.746626
HF Energy	-1194.778525
Nuclear repulsion energy	375.232255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3187	2997	0.00
2	A_g	1440	1354	0.00
3	A_g	1336	1257	0.00
4	A_g	1180	1109	0.00
5	A_g	1122	1055	0.00
6	A_g	856	805	0.00
7	A_g	529	497	0.00
8	A_g	385	362	0.00
9	A_g	277	260	0.00
10	A_u	3196	3005	15.02
11	A_u	1350	1269	31.84
12	A_u	1251	1177	42.06
13	A_u	1181	1111	258.91
14	A_u	806	758	186.07
15	A_u	411	387	3.71
16	A_u	373	351	29.27
17	A_u	176	165	1.35
18	A_u	76	71	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.026	0.000	-1.155
H4	-1.026	0.000	1.155
F5	-0.667	-1.094	-1.206
F6	0.667	1.094	1.206
Cl7	-0.818	1.468	-1.356
Cl8	0.818	-1.468	1.356

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5288	1.0981	2.1764	1.3556	2.3509	1.7817	2.7054
C2	1.5288		2.1764	1.0981	2.3509	1.3556	2.7054	1.7817
H3	1.0981	2.1764		3.0899	2.0167	2.6272	2.3657	2.9159
H4	2.1764	1.0981	3.0899		2.6272	2.0167	2.9159	2.3657
F5	1.3556	2.3509	2.0167	2.6272		3.5201	2.5715	2.9847
F6	2.3509	1.3556	2.6272	2.0167	3.5201		2.9847	2.5715
Cl7	1.7817	2.7054	2.3657	2.9159	2.5715	2.9847		4.3186
Cl8	2.7054	1.7817	2.9159	2.3657	2.9847	2.5715	4.3186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.827	C1	C2	F6	109.034
C1	C2	Cl8	109.382	C2	C1	H3	110.827
C2	C1	F5	109.034	C2	C1	Cl7	109.382
H3	C1	F5	110.114	H3	C1	Cl7	108.112
H4	C2	F6	110.114	H4	C2	Cl8	108.112
F5	C1	Cl7	109.349	F6	C2	Cl8	109.349

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

using model chemistry: MP3=FULL/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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