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	hartrees
Energy at 0K	-1195.851732
Energy at 298.15K	-1195.855340
HF Energy	-1194.843220
Nuclear repulsion energy	377.578859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3022	0.60
2	A	1449	1383	12.86
3	A	1354	1292	20.15
4	A	1170	1117	142.75
5	A	1107	1056	121.05
6	A	870	831	79.84
7	A	474	452	0.55
8	A	322	307	1.50
9	A	173	165	0.76
10	A	84	80	0.58
11	B	3177	3031	16.66
12	B	1395	1331	11.16
13	B	1277	1219	37.81
14	B	1127	1076	24.13
15	B	864	824	106.02
16	B	444	424	12.61
17	B	403	385	8.36
18	B	342	327	11.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.731	0.396
C2	0.224	-0.731	0.396
H3	-1.311	0.805	0.357
H4	1.311	-0.805	0.357
F5	0.224	1.294	1.551
F6	-0.224	-1.294	1.551
Cl7	0.458	1.605	-0.982
Cl8	-0.458	-1.605	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5281	1.0900	2.1710	1.3606	2.3305	1.7688	2.7215
C2	1.5281		2.1710	1.0900	2.3305	1.3606	2.7215	1.7688
H3	1.0900	2.1710		3.0760	2.0046	2.6476	2.3586	2.8853
H4	2.1710	1.0900	3.0760		2.6476	2.0046	2.8853	2.3586
F5	1.3606	2.3305	2.0046	2.6476		2.6260	2.5626	3.9092
F6	2.3305	1.3606	2.6476	2.0046	2.6260		3.9092	2.5626
Cl7	1.7688	2.7215	2.3586	2.8853	2.5626	3.9092		3.3376
Cl8	2.7215	1.7688	2.8853	2.3586	3.9092	2.5626	3.3376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.935	C1	C2	F6	107.420
C1	C2	Cl8	111.064	C2	C1	H3	110.935
C2	C1	F5	107.420	C2	C1	Cl7	111.064
H3	C1	F5	109.277	H3	C1	Cl7	108.857
H4	C2	F6	109.277	H4	C2	Cl8	108.857
F5	C1	Cl7	109.251	F6	C2	Cl8	109.251

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: QCISD/6-311G**

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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