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	hartrees
Energy at 0K	-835.638364
Energy at 298.15K	-835.642280
HF Energy	-834.708275
Nuclear repulsion energy	322.248195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2995	7.82
2	A'	1523	1450	21.15
3	A'	1429	1360	64.02
4	A'	1345	1281	134.33
5	A'	1236	1177	237.73
6	A'	885	843	25.18
7	A'	827	787	18.61
8	A'	647	616	27.58
9	A'	538	513	6.69
10	A'	363	346	0.59
11	A'	190	181	1.65
12	A"	3212	3058	0.62
13	A"	1375	1309	160.89
14	A"	1179	1122	88.66
15	A"	956	910	9.63
16	A"	533	508	2.30
17	A"	356	339	1.22
18	A"	108	103	3.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.862	0.489	0.000
C2	0.650	0.428	0.000
Cl3	-1.584	-1.132	0.000
H4	-1.185	1.026	0.894
H5	-1.185	1.026	-0.894
F6	1.132	1.691	0.000
F7	1.132	-0.196	1.087
F8	1.132	-0.196	-1.087

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5128	1.7743	1.0920	1.0920	2.3282	2.3720	2.3720
C2	1.5128		2.7246	2.1270	2.1270	1.3517	1.3435	1.3435
Cl3	1.7743	2.7246		2.3693	2.3693	3.9172	3.0712	3.0712
H4	1.0920	2.1270	2.3693		1.7881	2.5714	2.6270	3.2848
H5	1.0920	2.1270	2.3693	1.7881		2.5714	3.2848	2.6270
F6	2.3282	1.3517	3.9172	2.5714	2.5714		2.1783	2.1783
F7	2.3720	1.3435	3.0712	2.6270	3.2848	2.1783		2.1748
F8	2.3720	1.3435	3.0712	3.2848	2.6270	2.1783	2.1748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.606	C1	C2	F7	112.154
C1	C2	F8	112.154	C2	C1	Cl3	111.722
C2	C1	H4	108.411	C2	C1	H5	108.411
Cl3	C1	H4	109.180	Cl3	C1	H5	109.180
H4	C1	H5	109.921	F6	C2	F7	107.844
F6	C2	F8	107.844	F7	C2	F8	108.064

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

using model chemistry: QCISD/6-31G*

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

using model chemistry: QCISD/6-31G*

States and conformations

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