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	hartrees
Energy at 0K	-3491.885029
Energy at 298.15K	-3491.889359
HF Energy	-3491.792935
Nuclear repulsion energy	384.774275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3409	2972	0.09
2	A'	1328	1158	38.84
3	A'	885	771	79.63
4	A'	661	576	14.57
5	A'	341	298	2.97
6	A'	227	198	2.15
7	A"	1327	1157	27.95
8	A"	905	789	86.30
9	A"	223	194	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-0.655	-0.122	0.000
H2	-1.631	0.420	0.000
Br3	0.795	1.158	0.000
Cl4	-0.655	-1.183	1.510
Cl5	-0.655	-1.183	-1.510

	C1	H2	Br3	Cl4	Cl5
C1		1.1161	1.9333	1.8457	1.8457
H2	1.1161		2.5351	2.4085	2.4085
Br3	1.9333	2.5351		3.1400	3.1400
Cl4	1.8457	2.4085	3.1400		3.0203
Cl5	1.8457	2.4085	3.1400	3.0203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.543	H2	C1	Cl4	106.194
H2	C1	Cl5	106.194	Br3	C1	Cl4	112.365
Br3	C1	Cl5	112.365	Cl4	C1	Cl5	109.809

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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