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	hartrees
Energy at 0K	-1191.696312
Energy at 298.15K	-1191.699768
HF Energy	-1191.696312
Nuclear repulsion energy	375.792836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3041	1.35
2	A'	3180	3014	21.26
3	A'	1458	1382	23.60
4	A'	1310	1242	0.01
5	A'	1132	1073	101.96
6	A'	1064	1008	22.74
7	A'	790	749	30.01
8	A'	549	520	8.56
9	A'	387	367	21.10
10	A'	351	333	9.78
11	A'	253	240	0.05
12	A"	1428	1353	11.73
13	A"	1278	1211	10.51
14	A"	1180	1118	95.04
15	A"	813	771	115.51
16	A"	396	375	2.21
17	A"	176	166	1.82
18	A"	80	76	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.403	-0.222	0.000
C2	-0.370	1.099	0.000
H3	1.475	-0.034	0.000
H4	-1.442	0.912	0.000
Cl5	-0.005	-1.143	1.474
Cl6	-0.005	-1.143	-1.474
F7	-0.005	1.817	1.123
F8	-0.005	1.817	-1.123

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5305	1.0881	2.1654	1.7851	1.7851	2.3629	2.3629
C2	1.5305		2.1654	1.0881	2.7077	2.7077	1.3822	1.3822
H3	1.0881	2.1654		3.0665	2.3644	2.3644	2.6226	2.6226
H4	2.1654	1.0881	3.0665		2.9084	2.9084	2.0363	2.0363
Cl5	1.7851	2.7077	2.3644	2.9084		2.9475	2.9801	3.9375
Cl6	1.7851	2.7077	2.3644	2.9084	2.9475		3.9375	2.9801
F7	2.3629	1.3822	2.6226	2.0363	2.9801	3.9375		2.2468
F8	2.3629	1.3822	2.6226	2.0363	3.9375	2.9801	2.2468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.426	C1	C2	F7	108.330
C1	C2	F8	108.330	C2	C1	H3	110.426
C2	C1	Cl5	109.260	C2	C1	Cl6	109.260
H3	C1	Cl5	108.297	H3	C1	Cl6	108.297
H4	C2	F7	110.473	H4	C2	F8	110.473
Cl5	C1	Cl6	111.292	F7	C2	F8	108.742

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

using model chemistry: wB97X-D/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	-0.549
2	C	0.443
3	H	0.340
4	H	0.250
5	Cl	0.043
6	Cl	0.043
7	F	-0.285
8	F	-0.285

	x	y	z	Total
	-0.071	-0.041	0.000	0.082
CHELPG
AIM
ESP

	x	y	z
x	4.060	0.230	0.000
y	0.230	5.302	0.000
z	0.000	0.000	7.269

<r²>	244.929
(<r²>)^1/2	15.650

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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