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	hartrees
Energy at 0K	-1373.884587
Energy at 298.15K
HF Energy	-1372.987583
Nuclear repulsion energy	320.094167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3224	3224	1.25	59.69	0.19	0.32
2	A'	1217	1217	31.92	3.64	0.61	0.76
3	A'	768	768	109.46	3.69	0.72	0.84
4	A'	630	630	11.73	8.66	0.03	0.06
5	A'	338	338	0.14	6.02	0.22	0.36
6	A'	228	228	0.04	3.67	0.57	0.73
7	A"	1255	1255	17.55	2.92	0.75	0.86
8	A"	809	809	122.39	2.42	0.75	0.86
9	A"	221	221	0.01	3.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.668	-0.127	0.000
H2	-1.565	0.465	0.000
Br3	0.808	1.096	0.000
Cl4	-0.668	-1.120	1.449
Cl5	-0.668	-1.120	-1.449

	C1	H2	Br3	Cl4	Cl5
C1		1.0754	1.9167	1.7566	1.7566
H2	1.0754		2.4558	2.3274	2.3274
Br3	1.9167	2.4558		3.0310	3.0310
Cl4	1.7566	2.3274	3.0310		2.8989
Cl5	1.7566	2.3274	3.0310	2.8989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.937	H2	C1	Cl4	108.118
H2	C1	Cl5	108.118	Br3	C1	Cl4	111.133
Br3	C1	Cl5	111.133	Cl4	C1	Cl5	111.210

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: MP2=FULL/cc-pVTZ-PP

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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP2=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)