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	hartrees
Energy at 0K	-1195.895896
Energy at 298.15K	-1195.899472
HF Energy	-1194.883394
Nuclear repulsion energy	377.927252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3043	14.01
2	A'	3173	3031	3.58
3	A'	1468	1402	39.30
4	A'	1294	1236	1.04
5	A'	1168	1115	118.93
6	A'	1097	1048	35.02
7	A'	814	778	28.75
8	A'	588	562	7.81
9	A'	410	392	18.81
10	A'	351	335	10.04
11	A'	255	243	0.23
12	A"	1419	1355	11.34
13	A"	1291	1233	20.58
14	A"	1159	1108	161.36
15	A"	854	816	110.14
16	A"	405	387	0.98
17	A"	183	175	1.46
18	A"	80	76	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.411	-0.230	0.000
C2	-0.353	1.092	0.000
H3	1.485	-0.061	0.000
H4	-1.427	0.923	0.000
Cl5	-0.008	-1.139	1.475
Cl6	-0.008	-1.139	-1.475
F7	-0.008	1.816	1.090
F8	-0.008	1.816	-1.090

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5268	1.0872	2.1702	1.7825	1.7825	2.3557	2.3557
C2	1.5268		2.1702	1.0872	2.6964	2.6964	1.3536	1.3536
H3	1.0872	2.1702		3.0745	2.3594	2.3594	2.6346	2.6346
H4	2.1702	1.0872	3.0745		2.9055	2.9055	2.0003	2.0003
Cl5	1.7825	2.6964	2.3594	2.9055		2.9494	2.9801	3.9129
Cl6	1.7825	2.6964	2.3594	2.9055	2.9494		3.9129	2.9801
F7	2.3557	1.3536	2.6346	2.0003	2.9801	3.9129		2.1800
F8	2.3557	1.3536	2.6346	2.0003	3.9129	2.9801	2.1800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.126	C1	C2	F7	109.593
C1	C2	F8	109.593	C2	C1	H3	111.126
C2	C1	Cl5	108.890	C2	C1	Cl6	108.890
H3	C1	Cl5	108.149	H3	C1	Cl6	108.149
H4	C2	F7	109.591	H4	C2	F8	109.591
Cl5	C1	Cl6	111.651	F7	C2	F8	107.265

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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