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	hartrees
Energy at 0K	-835.180178
Energy at 298.15K
HF Energy	-834.979012
Nuclear repulsion energy	285.616017

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'	1840	1840	32.18	7.49	0.38	0.55
2	A'	1297	1297	115.30	0.67	0.54	0.70
3	A'	1180	1180	147.80	0.19	0.71	0.83
4	A'	1008	1008	182.34	1.71	0.12	0.22
5	A'	647	647	5.96	10.86	0.15	0.26
6	A'	489	489	1.81	2.60	0.75	0.86
7	A'	427	427	1.23	4.13	0.36	0.53
8	A'	318	318	1.52	3.74	0.67	0.80
9	A'	183	183	4.53	0.77	0.68	0.81
10	A"	530	530	3.61	12.99	0.75	0.86
11	A"	358	358	5.08	0.32	0.75	0.86
12	A"	163	163	0.04	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.717	-0.650
C2	0.000	0.470
F3	-2.081	-0.675
F4	-0.167	-1.899
F5	-0.627	1.697
Cl6	1.775	0.528

	C1	C2	F3	F4	F5	Cl6
C1		1.3305	1.3649	1.3641	2.3491	2.7568
C2	1.3305		2.3759	2.3754	1.3775	1.7764
F3	1.3649	2.3759		2.2719	2.7825	4.0402
F4	1.3641	2.3754	2.2719		3.6252	3.1088
F5	2.3491	1.3775	2.7825	3.6252		2.6718
Cl6	2.7568	1.7764	4.0402	3.1088	2.6718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	120.322	C1	C2	Cl6	124.451
C2	C1	F3	123.640	C2	C1	F4	123.648
F3	C1	F4	112.712	F5	C2	Cl6	115.226

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

using model chemistry: B2PLYP/6-31G

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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Number	Element	Mulliken
1	C	0.599
2	C	0.045
3	F	-0.273
4	F	-0.274
5	F	-0.279
6	Cl	0.181

	x	y	z	Total
	0.529	-0.154	0.000	0.550
CHELPG
AIM
ESP

	x	y	z
x	6.389	0.855	-0.000
y	0.855	4.747	-0.000
z	-0.000	-0.000	1.803

<r²>	195.307
(<r²>)^1/2	13.975

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

using model chemistry: B2PLYP/6-31G

States and conformations

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