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	hartrees
Energy at 0K	-1195.895152
Energy at 298.15K	-1195.898593
HF Energy	-1194.812026
Nuclear repulsion energy	375.315982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3145	3051
2	A'	3129	3035
3	A'	1400	1359
4	A'	1234	1197
5	A'	1140	1106
6	A'	1057	1025
7	A'	786	762
8	A'	554	537
9	A'	391	379
10	A'	338	328
11	A'	248	241
12	A"	1341	1301
13	A"	1221	1185
14	A"	1098	1065
15	A"	813	789
16	A"	392	380
17	A"	178	173
18	A"	77	75

Atom	x (Å)	y (Å)	z (Å)
C1	0.417	-0.226	0.000
C2	-0.362	1.094	0.000
H3	1.504	-0.058	0.000
H4	-1.449	0.927	0.000
Cl5	-0.007	-1.147	1.478
Cl6	-0.007	-1.147	-1.478
F7	-0.007	1.829	1.104
F8	-0.007	1.829	-1.104

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5327	1.1001	2.1936	1.7925	1.7925	2.3710	2.3710
C2	1.5327		2.1936	1.1001	2.7079	2.7079	1.3730	1.3730
H3	1.1001	2.1936		3.1137	2.3779	2.3779	2.6584	2.6584
H4	2.1936	1.1001	3.1137		2.9264	2.9264	2.0280	2.0280
Cl5	1.7925	2.7079	2.3779	2.9264		2.9558	2.9996	3.9401
Cl6	1.7925	2.7079	2.3779	2.9264	2.9558		3.9401	2.9996
F7	2.3710	1.3730	2.6584	2.0280	2.9996	3.9401		2.2081
F8	2.3710	1.3730	2.6584	2.0280	3.9401	2.9996	2.2081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.804	C1	C2	F7	109.251
C1	C2	F8	109.251	C2	C1	H3	111.804
C2	C1	Cl5	108.798	C2	C1	Cl6	108.798
H3	C1	Cl5	108.192	H3	C1	Cl6	108.192
H4	C2	F7	109.683	H4	C2	F8	109.683
Cl5	C1	Cl6	111.074	F7	C2	F8	107.049

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

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

States and conformations

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