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	hartrees
Energy at 0K	-1195.765164
Energy at 298.15K	-1195.768663
HF Energy	-1194.785089
Nuclear repulsion energy	376.336640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3141	2994
2	A'	3131	2984
3	A'	1420	1353
4	A'	1249	1191
5	A'	1151	1097
6	A'	1081	1030
7	A'	797	759
8	A'	575	548
9	A'	397	379
10	A'	342	326
11	A'	251	239
12	A"	1382	1317
13	A"	1235	1177
14	A"	1164	1109
15	A"	832	793
16	A"	397	379
17	A"	181	172
18	A"	79	76

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.226	0.000
C2	-0.360	1.104	0.000
H3	1.496	-0.051	0.000
H4	-1.449	0.928	0.000
Cl5	-0.006	-1.145	1.478
Cl6	-0.006	-1.145	-1.478
F7	-0.006	1.821	1.098
F8	-0.006	1.821	-1.098

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5354	1.1032	2.1861	1.7887	1.7887	2.3595	2.3595
C2	1.5354		2.1861	1.1032	2.7139	2.7139	1.3585	1.3585
H3	1.1032	2.1861		3.1039	2.3747	2.3747	2.6394	2.6394
H4	2.1861	1.1032	3.1039		2.9264	2.9264	2.0212	2.0212
Cl5	1.7887	2.7139	2.3747	2.9264		2.9560	2.9899	3.9284
Cl6	1.7887	2.7139	2.3747	2.9264	2.9560		3.9284	2.9899
F7	2.3595	1.3585	2.6394	2.0212	2.9899	3.9284		2.1963
F8	2.3595	1.3585	2.6394	2.0212	3.9284	2.9899	2.1963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.830	C1	C2	F7	109.092
C1	C2	F8	109.092	C2	C1	H3	110.830
C2	C1	Cl5	109.228	C2	C1	Cl6	109.228
H3	C1	Cl5	108.054	H3	C1	Cl6	108.054
H4	C2	F7	109.949	H4	C2	F8	109.949
Cl5	C1	Cl6	111.446	F7	C2	F8	107.869

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: QCISD(T)/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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All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: QCISD(T)/cc-pVDZ

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)