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	hartrees
Energy at 0K	-637.086694
Energy at 298.15K	-637.091745
HF Energy	-637.086694
Nuclear repulsion energy	158.171858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	2944	23.22
2	A'	3220	2919	20.80
3	A'	1647	1493	1.68
4	A'	1623	1471	7.72
5	A'	1553	1408	5.18
6	A'	1400	1269	14.69
7	A'	1167	1058	153.42
8	A'	1138	1031	10.48
9	A'	830	752	65.45
10	A'	412	374	3.04
11	A'	266	241	12.55
12	A"	3312	3002	15.14
13	A"	3269	2963	16.83
14	A"	1414	1282	0.15
15	A"	1331	1206	2.99
16	A"	1153	1045	1.98
17	A"	853	773	0.30
18	A"	140	127	11.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.608	0.000
C2	0.991	-0.525	0.000
Cl3	-1.658	-0.044	0.000
F4	2.248	0.010	0.000
H5	0.090	1.237	0.872
H6	0.090	1.237	-0.872
H7	0.913	-1.159	0.873
H8	0.913	-1.159	-0.873

	C1	C2	Cl3	F4	H5	H6	H7	H8
C1		1.5054	1.7814	2.3262	1.0791	1.0791	2.1718	2.1718
C2	1.5054		2.6926	1.3659	2.1627	2.1627	1.0815	1.0815
Cl3	1.7814	2.6926		3.9063	2.3359	2.3359	2.9352	2.9352
F4	2.3262	1.3659	3.9063		2.6311	2.6311	1.9773	1.9773
H5	1.0791	2.1627	2.3359	2.6311		1.7443	2.5330	3.0760
H6	1.0791	2.1627	2.3359	2.6311	1.7443		3.0760	2.5330
H7	2.1718	1.0815	2.9352	1.9773	2.5330	3.0760		1.7460
H8	2.1718	1.0815	2.9352	1.9773	3.0760	2.5330	1.7460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.125	C1	C2	H7	113.163
C1	C2	H8	113.163	C2	C1	Cl3	109.725
C2	C1	H5	112.564	C2	C1	H6	112.564
Cl3	C1	H5	106.916	Cl3	C1	H6	106.916
F4	C2	H7	107.214	F4	C2	H8	107.214
H5	C1	H6	107.847	H7	C2	H8	107.643

All results from a given calculation for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)

using model chemistry: HF/Def2TZVPP

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	0.007
2	C	0.215
3	Cl	-0.179
4	F	-0.302
5	H	0.081
6	H	0.081
7	H	0.049
8	H	0.049

	x	y	z	Total
	0.112	0.063	0.000	0.129
CHELPG
AIM
ESP

	x	y	z
x	6.467	0.335	0.000
y	0.335	4.794	0.000
z	0.000	0.000	4.427

<r²>	132.582
(<r²>)^1/2	11.514

All results from a given calculation for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)