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	hartrees
Energy at 0K	-1195.875527
Energy at 298.15K	-1195.878945
HF Energy	-1194.811281
Nuclear repulsion energy	374.623782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3083
2	A'	3145	3072
3	A'	1452	1418
4	A'	1279	1250
5	A'	1162	1135
6	A'	1098	1073
7	A'	813	794
8	A'	563	550
9	A'	400	391
10	A'	351	343
11	A'	257	251
12	A"	1411	1378
13	A"	1300	1270
14	A"	1162	1135
15	A"	850	830
16	A"	402	392
17	A"	185	181
18	A"	83	81

Atom	x (Å)	y (Å)	z (Å)
C1	0.417	-0.226	0.000
C2	-0.364	1.095	0.000
H3	1.505	-0.060	0.000
H4	-1.452	0.930	0.000
Cl5	-0.007	-1.149	1.480
Cl6	-0.007	-1.149	-1.480
F7	-0.007	1.833	1.108
F8	-0.007	1.833	-1.108

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5341	1.1013	2.1974	1.7949	1.7949	2.3756	2.3756
C2	1.5341		2.1974	1.1013	2.7116	2.7116	1.3778	1.3778
H3	1.1013	2.1974		3.1192	2.3797	2.3797	2.6643	2.6643
H4	2.1974	1.1013	3.1192		2.9325	2.9325	2.0326	2.0326
Cl5	1.7949	2.7116	2.3797	2.9325		2.9593	3.0047	3.9479
Cl6	1.7949	2.7116	2.3797	2.9325	2.9593		3.9479	3.0047
F7	2.3756	1.3778	2.6643	2.0326	3.0047	3.9479		2.2158
F8	2.3756	1.3778	2.6643	2.0326	3.9479	3.0047	2.2158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.934	C1	C2	F7	109.220
C1	C2	F8	109.220	C2	C1	H3	111.934
C2	C1	Cl5	108.834	C2	C1	Cl6	108.834
H3	C1	Cl5	108.102	H3	C1	Cl6	108.102
H4	C2	F7	109.646	H4	C2	F8	109.646
Cl5	C1	Cl6	111.052	F7	C2	F8	107.049

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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