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	hartrees
Energy at 0K	-1191.254868
Energy at 298.15K	-1191.258309
HF Energy	-1191.254868
Nuclear repulsion energy	376.782689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3057	1.96
2	A'	3158	3031	20.94
3	A'	1447	1389	23.11
4	A'	1293	1241	0.02
5	A'	1134	1088	98.38
6	A'	1067	1025	22.62
7	A'	785	754	30.51
8	A'	546	524	8.73
9	A'	382	367	17.58
10	A'	348	334	12.33
11	A'	253	243	0.06
12	A"	1426	1369	12.89
13	A"	1273	1222	11.77
14	A"	1185	1137	93.05
15	A"	799	767	127.65
16	A"	396	380	2.92
17	A"	176	169	1.82
18	A"	81	77	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.223	0.000
C2	-0.371	1.092	0.000
H3	1.474	-0.031	0.000
H4	-1.444	0.900	0.000
Cl5	-0.004	-1.135	1.474
Cl6	-0.004	-1.135	-1.474
F7	-0.004	1.806	1.124
F8	-0.004	1.806	-1.124

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5253	1.0898	2.1600	1.7801	1.7801	2.3548	2.3548
C2	1.5253		2.1600	1.0898	2.6962	2.6962	1.3812	1.3812
H3	1.0898	2.1600		3.0626	2.3613	2.3613	2.6118	2.6118
H4	2.1600	1.0898	3.0626		2.8964	2.8964	2.0390	2.0390
Cl5	1.7801	2.6962	2.3613	2.8964		2.9481	2.9621	3.9244
Cl6	1.7801	2.6962	2.3613	2.8964	2.9481		3.9244	2.9621
F7	2.3548	1.3812	2.6118	2.0390	2.9621	3.9244		2.2480
F8	2.3548	1.3812	2.6118	2.0390	3.9244	2.9621	2.2480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.260	C1	C2	F7	108.124
C1	C2	F8	108.124	C2	C1	H3	110.260
C2	C1	Cl5	109.069	C2	C1	Cl6	109.069
H3	C1	Cl5	108.316	H3	C1	Cl6	108.316
H4	C2	F7	110.661	H4	C2	F8	110.661
Cl5	C1	Cl6	111.803	F7	C2	F8	108.930

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

using model chemistry: HSEh1PBE/3-21G*

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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Number	Element	Mulliken
1	C	-0.573
2	C	0.429
3	H	0.342
4	H	0.249
5	Cl	0.053
6	Cl	0.053
7	F	-0.277
8	F	-0.277

	x	y	z	Total
	-0.065	-0.025	0.000	0.070
CHELPG
AIM
ESP

	x	y	z
x	4.096	0.211	0.000
y	0.211	5.374	0.000
z	0.000	0.000	7.371

<r²>	243.555
(<r²>)^1/2	15.606

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

using model chemistry: HSEh1PBE/3-21G*

States and conformations

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