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	hartrees
Energy at 0K	-1195.721744
Energy at 298.15K	-1195.725302
HF Energy	-1194.785745
Nuclear repulsion energy	378.089566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3024	15.09
2	A'	3171	3014	10.16
3	A'	1429	1358	48.34
4	A'	1260	1198	1.79
5	A'	1162	1105	101.21
6	A'	1094	1040	44.18
7	A'	816	775	31.41
8	A'	581	552	7.26
9	A'	403	383	14.66
10	A'	347	330	11.02
11	A'	256	243	0.25
12	A"	1395	1326	18.74
13	A"	1247	1185	15.26
14	A"	1171	1113	154.72
15	A"	858	815	116.87
16	A"	404	384	1.00
17	A"	184	175	1.39
18	A"	82	78	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.228	0.000
C2	-0.359	1.097	0.000
H3	1.490	-0.052	0.000
H4	-1.444	0.921	0.000
Cl5	-0.006	-1.139	1.469
Cl6	-0.006	-1.139	-1.469
F7	-0.006	1.813	1.097
F8	-0.006	1.813	-1.097

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5297	1.0996	2.1772	1.7765	1.7765	2.3534	2.3534
C2	1.5297		2.1772	1.0996	2.6985	2.6985	1.3562	1.3562
H3	1.0996	2.1772		3.0917	2.3619	2.3619	2.6308	2.6308
H4	2.1772	1.0996	3.0917		2.9101	2.9101	2.0164	2.0164
Cl5	1.7765	2.6985	2.3619	2.9101		2.9375	2.9755	3.9110
Cl6	1.7765	2.6985	2.3619	2.9101	2.9375		3.9110	2.9755
F7	2.3534	1.3562	2.6308	2.0164	2.9755	3.9110		2.1931
F8	2.3534	1.3562	2.6308	2.0164	3.9110	2.9755	2.1931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.734	C1	C2	F7	109.126
C1	C2	F8	109.126	C2	C1	H3	110.734
C2	C1	Cl5	109.189	C2	C1	Cl6	109.189
H3	C1	Cl5	108.094	H3	C1	Cl6	108.094
H4	C2	F7	109.945	H4	C2	F8	109.945
Cl5	C1	Cl6	111.538	F7	C2	F8	107.909

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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