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	hartrees
Energy at 0K	-2850.801093
Energy at 298.15K	-2850.805440
HF Energy	-2850.801093
Nuclear repulsion energy	309.014677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3145	17.10
2	A'	1766	1709	231.16
3	A'	1320	1277	96.03
4	A'	1180	1141	155.06
5	A'	966	934	110.13
6	A'	768	743	10.52
7	A'	569	550	3.40
8	A'	370	358	0.81
9	A'	167	162	1.34
10	A"	767	742	38.31
11	A"	607	587	0.48
12	A"	212	205	0.18

Atom	x (Å)	y (Å)
C1	0.000	0.833
C2	1.304	0.618
Br3	-1.264	-0.568
F4	1.894	-0.554
F5	2.195	1.590
H6	-0.390	1.835

	C1	C2	Br3	F4	F5	H6
C1		1.3221	1.8863	2.3468	2.3219	1.0756
C2	1.3221		2.8285	1.3111	1.3187	2.0863
Br3	1.8863	2.8285		3.1574	4.0766	2.5569
F4	2.3468	1.3111	3.1574		2.1651	3.3045
F5	2.3219	1.3187	4.0766	2.1651		2.5960
H6	1.0756	2.0863	2.5569	3.3045	2.5960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	126.066	C1	C2	F5	123.100
C2	C1	Br3	122.701	C2	C1	H6	120.608
Br3	C1	H6	116.691	F4	C2	F5	110.834

All results from a given calculation for CHBrCF₂ (1-Bromo-2,2-difluoroethylene)

using model chemistry: B3LYP/aug-cc-pVTZ

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 CHBrCF2 (1-Bromo-2,2-difluoroethylene)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHBrCF₂ (1-Bromo-2,2-difluoroethylene)