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	hartrees
Energy at 0K	-1197.061127
Energy at 298.15K	-1197.053995
HF Energy	-1194.727770
Nuclear repulsion energy	380.911385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	3176	16.15
2	A'	3359	3165	10.93
3	A'	1586	1494	57.49
4	A'	1391	1310	2.80
5	A'	1257	1185	152.30
6	A'	1179	1111	29.26
7	A'	868	818	44.33
8	A'	621	585	11.06
9	A'	433	408	21.09
10	A'	376	354	12.04
11	A'	273	257	0.37
12	A"	1546	1457	24.81
13	A"	1389	1308	29.85
14	A"	1288	1213	161.60
15	A"	911	858	152.05
16	A"	433	408	1.61
17	A"	198	187	1.69
18	A"	88	83	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.228	0.000
C2	-0.362	1.088	0.000
H3	1.478	-0.053	0.000
H4	-1.438	0.913	0.000
Cl5	-0.005	-1.133	1.462
Cl6	-0.005	-1.133	-1.462
F7	-0.005	1.806	1.100
F8	-0.005	1.806	-1.100

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5219	1.0907	2.1649	1.7668	1.7668	2.3477	2.3477
C2	1.5219		2.1649	1.0907	2.6833	2.6833	1.3605	1.3605
H3	1.0907	2.1649		3.0719	2.3459	2.3459	2.6199	2.6199
H4	2.1649	1.0907	3.0719		2.8946	2.8946	2.0148	2.0148
Cl5	1.7668	2.6833	2.3459	2.8946		2.9248	2.9607	3.8986
Cl6	1.7668	2.6833	2.3459	2.8946	2.9248		3.8986	2.9607
F7	2.3477	1.3605	2.6199	2.0148	2.9607	3.8986		2.1996
F8	2.3477	1.3605	2.6199	2.0148	3.8986	2.9607	2.1996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.627	C1	C2	F7	108.770
C1	C2	F8	108.770	C2	C1	H3	109.507
C2	C1	Cl5	109.907	C2	C1	Cl6	109.907
H3	C1	Cl5	108.009	H3	C1	Cl6	108.009
H4	C2	F7	109.552	H4	C2	F8	109.552
Cl5	C1	Cl6	111.445	F7	C2	F8	107.429

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

using model chemistry: G3

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: G3

States and conformations

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