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	hartrees
Energy at 0K	-3532.333556
Energy at 298.15K	-3532.327929
HF Energy	-3529.491847
Nuclear repulsion energy	395.651743

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'	3416	3218	0.23	67.77	0.31	0.47
2	A'	1339	1262	52.91	6.50	0.63	0.77
3	A'	815	768	125.60	11.64	0.71	0.83
4	A'	655	617	17.90	15.34	0.07	0.12
5	A'	361	340	0.47	8.11	0.22	0.37
6	A'	245	231	0.11	4.87	0.56	0.72
7	A"	1395	1314	33.50	6.46	0.75	0.86
8	A"	873	823	139.28	10.14	0.75	0.86
9	A"	240	226	0.12	3.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.679	-0.139	0.000
H2	-1.575	0.475	0.000
Br3	0.822	1.102	0.000
Cl4	-0.679	-1.124	1.457
Cl5	-0.679	-1.124	-1.457

	C1	H2	Br3	Cl4	Cl5
C1		1.0854	1.9478	1.7593	1.7593
H2	1.0854		2.4770	2.3416	2.3416
Br3	1.9478	2.4770		3.0553	3.0553
Cl4	1.7593	2.3416	3.0553		2.9148
Cl5	1.7593	2.3416	3.0553	2.9148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.508	H2	C1	Cl4	107.803
H2	C1	Cl5	107.803	Br3	C1	Cl4	111.485
Br3	C1	Cl5	111.485	Cl4	C1	Cl5	111.487

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

using model chemistry: G3

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: G3

States and conformations

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