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	hartrees
Energy at 0K	-835.838923
Energy at 298.15K
HF Energy	-835.838923
Nuclear repulsion energy	289.002128

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'	1753	1744	47.34	18.83	0.36	0.53
2	A'	1238	1231	199.03	0.53	0.53	0.69
3	A'	1128	1122	215.04	0.42	0.54	0.70
4	A'	996	991	243.34	4.42	0.27	0.42
5	A'	656	653	4.35	11.48	0.08	0.14
6	A'	488	485	1.24	1.66	0.73	0.84
7	A'	433	431	0.39	3.42	0.30	0.46
8	A'	326	324	1.36	2.86	0.56	0.72
9	A'	183	182	2.69	0.55	0.65	0.79
10	A"	491	488	1.89	9.34	0.75	0.86
11	A"	349	347	0.92	0.23	0.75	0.86
12	A"	158	157	0.08	0.03	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.686	-0.684
C2	0.000	0.472
F3	-2.027	-0.747
F4	-0.113	-1.898
F5	-0.667	1.655
Cl6	1.728	0.599

	C1	C2	F3	F4	F5	Cl6
C1		1.3437	1.3431	1.3420	2.3391	2.7331
C2	1.3437		2.3655	2.3722	1.3582	1.7327
F3	1.3431	2.3655		2.2328	2.7611	3.9891
F4	1.3420	2.3722	2.2328		3.5957	3.1019
F5	2.3391	1.3582	2.7611	3.5957		2.6174
Cl6	2.7331	1.7327	3.9891	3.1019	2.6174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.928	C1	C2	Cl6	124.872
C2	C1	F3	123.394	C2	C1	F4	124.084
F3	C1	F4	112.522	F5	C2	Cl6	115.200

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.444
2	C	0.172
3	F	-0.253
4	F	-0.270
5	F	-0.233
6	Cl	0.140

	x	y	z	Total
	0.565	-0.150	0.000	0.585
CHELPG
AIM
ESP

	x	y	z
x	7.657	1.080	0.000
y	1.080	6.481	0.000
z	0.000	0.000	3.742

<r²>	191.548
(<r²>)^1/2	13.840

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

using model chemistry: BLYP/6-31+G**

States and conformations

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