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	hartrees
Energy at 0K	-1195.621563
Energy at 298.15K	-1195.625148
HF Energy	-1194.725851
Nuclear repulsion energy	379.378557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3021	9.05
2	A'	3195	3011	12.79
3	A'	1471	1386	39.27
4	A'	1297	1222	0.38
5	A'	1179	1111	95.63
6	A'	1116	1052	41.31
7	A'	832	784	32.00
8	A'	573	540	7.18
9	A'	408	384	16.90
10	A'	357	336	11.46
11	A'	263	247	0.27
12	A"	1430	1347	16.72
13	A"	1319	1242	21.60
14	A"	1181	1112	134.63
15	A"	874	824	117.75
16	A"	410	386	0.88
17	A"	189	178	1.42
18	A"	86	81	0.77

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	110.839	C1	C2	F7	108.953
C1	C2	F8	108.953	C2	C1	H3	110.839
C2	C1	Cl5	109.127	C2	C1	Cl6	109.127
H3	C1	Cl5	108.012	H3	C1	Cl6	108.012
H4	C2	F7	110.076	H4	C2	F8	110.076
Cl5	C1	Cl6	111.725	F7	C2	F8	107.879

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

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

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