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	hartrees
Energy at 0K	-1308.170624
Energy at 298.15K
HF Energy	-1307.003961
Nuclear repulsion energy	492.040337

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	1098	1098	143.61	3.65	0.34	0.51
2	A	820	820	178.53	3.91	0.47	0.64
3	A	753	753	194.73	7.94	0.61	0.76
4	A	465	465	0.52	7.05	0.03	0.05
5	A	339	339	0.03	2.68	0.42	0.59
6	A	287	287	0.19	2.36	0.71	0.83
7	A	255	255	0.24	6.32	0.16	0.28
8	A	185	185	0.03	2.53	0.62	0.76
9	A	140	140	0.08	2.34	0.56	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.433	0.473	0.348
F2	0.525	0.688	1.669
Cl3	0.719	1.990	-0.486
Br4	1.766	-0.819	-0.142
I5	-1.535	-0.268	-0.073

	C1	F2	Cl3	Br4	I5
C1		1.3410	1.7548	1.9204	2.1445
F2	1.3410		2.5250	2.6630	2.8620
Cl3	1.7548	2.5250		3.0173	3.2173
Br4	1.9204	2.6630	3.0173		3.3474
I5	2.1445	2.8620	3.2173	3.3474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.564	F2	C1	Br4	108.165
F2	C1	I5	108.176	Cl3	C1	Br4	110.291
Cl3	C1	I5	110.803	Br4	C1	I5	110.752

All results from a given calculation for CFClBrI (fluorochlorobromoiodomethane)

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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