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	hartrees
Energy at 0K	-1032.072901
Energy at 298.15K	-1032.075267
HF Energy	-1032.072901
Nuclear repulsion energy	536.494016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1320	1305	70.45
2	A'	1215	1201	303.03
3	A'	1125	1112	180.22
4	A'	961	950	259.83
5	A'	759	750	35.98
6	A'	646	638	14.55
7	A'	548	541	7.05
8	A'	433	428	0.09
9	A'	355	351	0.03
10	A'	307	303	1.47
11	A'	176	174	1.47
12	A"	1232	1218	387.73
13	A"	1182	1169	106.18
14	A"	588	581	0.77
15	A"	444	439	1.21
16	A"	323	319	0.01
17	A"	213	210	2.31
18	A"	60	60	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.087	-0.640	0.000
C2	-0.624	0.731	0.000
Cl3	1.836	-0.427	0.000
F4	-0.293	-1.314	1.080
F5	-0.293	-1.314	-1.080
F6	-1.937	0.532	0.000
F7	-0.293	1.421	1.081
F8	-0.293	1.421	-1.081

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5442	1.7623	1.3290	1.3290	2.3382	2.3578	2.3578
C2	1.5442		2.7193	2.3365	2.3365	1.3277	1.3245	1.3245
Cl3	1.7623	2.7193		2.5470	2.5470	3.8929	3.0196	3.0196
F4	1.3290	2.3365	2.5470		2.1610	2.6975	2.7348	3.4859
F5	1.3290	2.3365	2.5470	2.1610		2.6975	3.4859	2.7348
F6	2.3382	1.3277	3.8929	2.6975	2.6975		2.1589	2.1589
F7	2.3578	1.3245	3.0196	2.7348	3.4859	2.1589		2.1624
F8	2.3578	1.3245	3.0196	3.4859	2.7348	2.1589	2.1624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.781	C1	C2	F7	110.319
C1	C2	F8	110.319	C2	C1	Cl3	110.483
C2	C1	F4	108.590	C2	C1	F5	108.590
Cl3	C1	F4	110.174	Cl3	C1	F5	110.174
F4	C1	F5	108.781	F6	C2	F7	108.980
F6	C2	F8	108.980	F7	C2	F8	109.432

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: SVWN/TZVP

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	0.089
2	C	0.274
3	Cl	0.040
4	F	-0.074
5	F	-0.074
6	F	-0.090
7	F	-0.082
8	F	-0.082

	x	y	z	Total
	0.459	-0.003	0.000	0.459
CHELPG
AIM
ESP

	x	y	z
x	6.895	0.083	0.000
y	0.083	5.058	0.000
z	0.000	0.000	5.053

<r²>	248.218
(<r²>)^1/2	15.755

All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)