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	hartrees
Energy at 0K	-735.991962
Energy at 298.15K	-735.996577
HF Energy	-735.991962
Nuclear repulsion energy	248.147095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	2949	9.99
2	A'	3195	2879	5.13
3	A'	1599	1441	0.17
4	A'	1556	1402	36.52
5	A'	1361	1226	155.45
6	A'	1240	1118	200.79
7	A'	997	898	126.33
8	A'	739	666	58.72
9	A'	591	533	19.59
10	A'	471	424	1.06
11	A'	327	295	1.40
12	A"	3291	2965	7.44
13	A"	1599	1441	1.51
14	A"	1356	1222	198.84
15	A"	1087	979	44.48
16	A"	465	419	0.01
17	A"	364	328	0.51
18	A"	267	240	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	0.000	0.000
C2	-0.806	1.432	0.000
Cl3	1.424	-0.140	0.000
F4	-0.806	-0.640	1.061
F5	-0.806	-0.640	-1.061
H6	-1.888	1.440	0.000
H7	-0.438	1.932	0.883
H8	-0.438	1.932	-0.883

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5026	1.7804	1.3207	1.3207	2.1065	2.1258	2.1258
C2	1.5026		2.7288	2.3282	2.3282	1.0820	1.0791	1.0791
Cl3	1.7804	2.7288		2.5204	2.5204	3.6700	2.9226	2.9226
F4	1.3207	2.3282	2.5204		2.1227	2.5737	2.6046	3.2452
F5	1.3207	2.3282	2.5204	2.1227		2.5737	3.2452	2.6046
H6	2.1065	1.0820	3.6700	2.5737	2.5737		1.7674	1.7674
H7	2.1258	1.0791	2.9226	2.6046	3.2452	1.7674		1.7654
H8	2.1258	1.0791	2.9226	3.2452	2.6046	1.7674	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.076	C1	C2	H7	109.765
C1	C2	H8	109.765	C2	C1	Cl3	112.169
C2	C1	F4	110.941	C2	C1	F5	110.941
Cl3	C1	F4	107.811	Cl3	C1	F5	107.811
F4	C1	F5	106.948	H6	C2	H7	109.726
H6	C2	H8	109.726	H7	C2	H8	109.759

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	0.546
2	C	-0.267
3	Cl	-0.185
4	F	-0.217
5	F	-0.217
6	H	0.112
7	H	0.114
8	H	0.114

	x	y	z	Total
	-0.763	2.161	0.000	2.292
CHELPG
AIM
ESP

<r²>	127.970
(<r²>)^1/2	11.312

All results from a given calculation for CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: ROHF/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)