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	hartrees
Energy at 0K	-834.837651
Energy at 298.15K	-834.841816
HF Energy	-834.837651
Nuclear repulsion energy	325.966559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	2972	12.33
2	A'	1599	1452	33.13
3	A'	1511	1372	83.43
4	A'	1417	1287	181.94
5	A'	1311	1191	321.89
6	A'	936	850	24.96
7	A'	861	783	44.02
8	A'	698	634	37.73
9	A'	586	532	10.03
10	A'	388	352	0.36
11	A'	201	183	2.18
12	A"	3338	3033	1.24
13	A"	1450	1317	219.29
14	A"	1247	1133	114.98
15	A"	1001	910	9.42
16	A"	586	533	3.57
17	A"	380	346	1.12
18	A"	107	97	4.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.848	0.490	0.000
C2	0.661	0.421	0.000
Cl3	-1.596	-1.118	0.000
H4	-1.169	1.015	0.885
H5	-1.169	1.015	-0.885
F6	1.133	1.654	0.000
F7	1.133	-0.187	1.063
F8	1.133	-0.187	-1.063

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5099	1.7733	1.0779	1.0779	2.2978	2.3474	2.3474
C2	1.5099		2.7315	2.1169	2.1169	1.3205	1.3124	1.3124
Cl3	1.7733	2.7315		2.3487	2.3487	3.8902	3.0728	3.0728
H4	1.0779	2.1169	2.3487		1.7697	2.5473	2.6028	3.2458
H5	1.0779	2.1169	2.3487	1.7697		2.5473	3.2458	2.6028
F6	2.2978	1.3205	3.8902	2.5473	2.5473		2.1262	2.1262
F7	2.3474	1.3124	3.0728	2.6028	3.2458	2.1262		2.1251
F8	2.3474	1.3124	3.0728	3.2458	2.6028	2.1262	2.1251

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.369	C1	C2	F7	112.369
C1	C2	F8	112.369	C2	C1	Cl3	112.356
C2	C1	H4	108.625	C2	C1	H5	108.625
Cl3	C1	H4	108.447	Cl3	C1	H5	108.447
H4	C1	H5	110.341	F6	C2	F7	107.711
F6	C2	F8	107.711	F7	C2	F8	108.111

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: HF/6-311G**

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	-0.299
2	C	0.849
3	Cl	-0.085
4	H	0.172
5	H	0.172
6	F	-0.282
7	F	-0.264
8	F	-0.264

	x	y	z	Total
	-1.340	1.658	0.000	2.132
CHELPG
AIM
ESP

	x	y	z
x	4.225	0.927	0.000
y	0.927	5.292	0.000
z	0.000	0.000	3.591

<r²>	185.996
(<r²>)^1/2	13.638

All results from a given calculation for CF3CH2Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)