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	hartrees
Energy at 0K	-1197.266711
Energy at 298.15K	-1197.270194
HF Energy	-1196.824839
Nuclear repulsion energy	378.655956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3029	8.73
2	A'	3142	3014	4.95
3	A'	1420	1362	28.44
4	A'	1268	1216	1.13
5	A'	1137	1091	109.68
6	A'	1076	1032	35.06
7	A'	797	765	30.09
8	A'	572	549	6.53
9	A'	399	383	15.22
10	A'	342	328	8.62
11	A'	249	238	0.18
12	A"	1369	1313	4.55
13	A"	1243	1192	15.77
14	A"	1107	1062	166.51
15	A"	812	779	125.27
16	A"	396	380	1.48
17	A"	180	173	0.87
18	A"	76	73	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	-0.226	0.000
C2	-0.358	1.091	0.000
H3	1.479	-0.062	0.000
H4	-1.430	0.927	0.000
Cl5	-0.007	-1.139	1.467
Cl6	-0.007	-1.139	-1.467
F7	-0.007	1.814	1.092
F8	-0.007	1.814	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5225	1.0850	2.1685	1.7761	1.7761	2.3504	2.3504
C2	1.5225		2.1685	1.0850	2.6917	2.6917	1.3561	1.3561
H3	1.0850	2.1685		3.0726	2.3489	2.3489	2.6301	2.6301
H4	2.1685	1.0850	3.0726		2.9058	2.9058	2.0019	2.0019
Cl5	1.7761	2.6917	2.3489	2.9058		2.9332	2.9764	3.9070
Cl6	1.7761	2.6917	2.3489	2.9058	2.9332		3.9070	2.9764
F7	2.3504	1.3561	2.6301	2.0019	2.9764	3.9070		2.1840
F8	2.3504	1.3561	2.6301	2.0019	3.9070	2.9764	2.1840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.433	C1	C2	F7	109.336
C1	C2	F8	109.336	C2	C1	H3	111.433
C2	C1	Cl5	109.129	C2	C1	Cl6	109.129
H3	C1	Cl5	107.918	H3	C1	Cl6	107.918
H4	C2	F7	109.686	H4	C2	F8	109.686
Cl5	C1	Cl6	111.322	F7	C2	F8	107.270

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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