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	hartrees
Energy at 0K	-835.440441
Energy at 298.15K
HF Energy	-835.130374
Nuclear repulsion energy	292.683399

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'	1854	1763	53.71	20.36	0.34	0.50
2	A'	1334	1268	192.96	0.23	0.52	0.68
3	A'	1213	1153	215.95	0.59	0.41	0.58
4	A'	1066	1014	249.51	3.65	0.27	0.42
5	A'	694	660	3.32	9.92	0.08	0.14
6	A'	513	488	1.35	1.68	0.74	0.85
7	A'	460	438	0.91	2.82	0.31	0.48
8	A'	339	323	1.51	2.54	0.57	0.72
9	A'	189	179	3.01	0.47	0.65	0.79
10	A"	542	516	2.82	9.80	0.75	0.86
11	A"	371	353	1.68	0.19	0.75	0.86
12	A"	170	161	0.08	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.674	-0.679
C2	0.000	0.468
F3	-1.998	-0.749
F4	-0.101	-1.874
F5	-0.667	1.633
Cl6	1.702	0.598

	C1	C2	F3	F4	F5	Cl6
C1		1.3303	1.3254	1.3248	2.3117	2.6979
C2	1.3303		2.3390	2.3438	1.3424	1.7073
F3	1.3254	2.3390		2.2047	2.7279	3.9376
F4	1.3248	2.3438	2.2047		3.5518	3.0602
F5	2.3117	1.3424	2.7279	3.5518		2.5855
Cl6	2.6979	1.7073	3.9376	3.0602	2.5855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.752	C1	C2	Cl6	124.825
C2	C1	F3	123.460	C2	C1	F4	123.952
F3	C1	F4	112.588	F5	C2	Cl6	115.423

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

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