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	hartrees
Energy at 0K	-835.651145
Energy at 298.15K
HF Energy	-835.286349
Nuclear repulsion energy	293.528537

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'	1844	1760	57.44	19.11	0.31	0.48
2	A'	1337	1276	193.04	0.04	0.24	0.39
3	A'	1217	1161	225.81	0.41	0.26	0.41
4	A'	1065	1017	249.90	3.97	0.16	0.27
5	A'	700	668	3.88	8.56	0.10	0.19
6	A'	522	498	1.23	1.83	0.73	0.84
7	A'	463	442	0.39	3.30	0.36	0.53
8	A'	345	329	1.67	2.66	0.65	0.79
9	A'	192	183	3.06	0.64	0.62	0.77
10	A"	557	532	2.65	9.95	0.75	0.86
11	A"	372	355	1.04	0.41	0.75	0.86
12	A"	170	162	0.08	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.689	-0.661
C2	0.000	0.470
F3	-2.005	-0.708
F4	-0.141	-1.858
F5	-0.634	1.643
Cl6	1.715	0.556

	C1	C2	F3	F4	F5	Cl6
C1		1.3249	1.3175	1.3161	2.3051	2.6943
C2	1.3249		2.3260	2.3327	1.3332	1.7171
F3	1.3175	2.3260		2.1906	2.7217	3.9291
F4	1.3161	2.3327	2.1906		3.5357	3.0449
F5	2.3051	1.3332	2.7217	3.5357		2.5886
Cl6	2.6943	1.7171	3.9291	3.0449	2.5886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.269	C1	C2	Cl6	124.174
C2	C1	F3	123.351	C2	C1	F4	124.083
F3	C1	F4	112.566	F5	C2	Cl6	115.557

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)

using model chemistry: B2PLYP=FULL/TZVP

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 C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

All results from a given calculation for C₂ClF₃ (Ethene, chlorotrifluoro-)