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	hartrees
Energy at 0K	-634.182882
Energy at 298.15K	-634.187716
HF Energy	-633.824382
Nuclear repulsion energy	160.532950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3073	12.57
2	A	3203	3058	8.83
3	A	3185	3041	1.21
4	A	3109	2968	2.54
5	A	1589	1517	4.90
6	A	1581	1510	4.90
7	A	1507	1439	18.49
8	A	1443	1377	17.13
9	A	1342	1281	66.61
10	A	1203	1149	81.76
11	A	1156	1103	23.83
12	A	1076	1027	19.36
13	A	934	892	46.19
14	A	619	591	69.61
15	A	439	420	16.07
16	A	334	319	2.28
17	A	309	295	1.94
18	A	266	254	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.477	0.098	0.408
C2	1.240	-1.098	-0.120
H3	0.462	0.184	1.490
F4	0.943	1.283	-0.172
Cl5	-1.385	-0.093	-0.054
H6	1.141	-1.143	-1.206
H7	2.297	-0.984	0.139
H8	0.851	-2.017	0.320

	C1	C2	H3	F4	Cl5	H6	H7	H8
C1		1.5131	1.0861	1.3993	1.9275	2.1415	2.1349	2.1493
C2	1.5131		2.2003	2.3993	2.8109	1.0918	1.0949	1.0907
H3	1.0861	2.2003		2.0498	2.4236	3.0814	2.5613	2.5231
F4	1.3993	2.3993	2.0498		2.7067	2.6444	2.6591	3.3374
Cl5	1.9275	2.8109	2.4236	2.7067		2.9680	3.7934	2.9735
H6	2.1415	1.0918	3.0814	2.6444	2.9680		1.7813	1.7828
H7	2.1349	1.0949	2.5613	2.6591	3.7934	1.7813		1.7859
H8	2.1493	1.0907	2.5231	3.3374	2.9735	1.7828	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.535	C1	C2	H7	108.836
C1	C2	H8	110.213	C2	C1	H3	114.679
C2	C1	F4	110.875	C2	C1	Cl5	108.972
H3	C1	F4	110.489	H3	C1	Cl5	103.519
F4	C1	Cl5	107.846	H6	C2	H7	109.101
H6	C2	H8	109.541	H7	C2	H8	109.594

All results from a given calculation for CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)

using model chemistry: MP2=FULL/3-21G

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 CH3CHFCl (Ethane, 1-chloro-1-fluoro-)

using model chemistry: MP2=FULL/3-21G

States and conformations

All results from a given calculation for CH₃CHFCl (Ethane, 1-chloro-1-fluoro-)