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	hartrees
Energy at 0K	-97.512146
Energy at 298.15K
HF Energy	-97.017777
Nuclear repulsion energy	120.889308

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'	1750	1691	28.70	2.70	0.54	0.70
2	A'	1192	1152	127.07	0.76	0.60	0.75
3	A'	1093	1056	147.37	0.41	0.22	0.36
4	A'	964	932	183.34	1.21	0.09	0.16
5	A'	613	593	2.24	10.78	0.18	0.31
6	A'	462	447	1.70	3.61	0.75	0.86
7	A'	414	400	3.80	3.47	0.40	0.57
8	A'	306	296	1.68	3.98	0.68	0.81
9	A'	172	166	4.95	1.03	0.70	0.82
10	A"	431	417	4.01	14.38	0.75	0.86
11	A"	330	319	5.03	0.91	0.75	0.86
12	A"	156	151	0.13	0.19	0.75	0.86

Atom	x (Å)	y (Å)
C1	-0.701	-0.708
C2	0.000	0.480
F3	-2.091	-0.791
F4	-0.095	-1.963
F5	-0.714	1.699
Cl6	1.784	0.639

	C1	C2	F3	F4	F5	Cl6
C1		1.3800	1.3925	1.3935	2.4074	2.8267
C2	1.3800		2.4475	2.4451	1.4129	1.7906
F3	1.3925	2.4475		2.3146	2.8455	4.1305
F4	1.3935	2.4451	2.3146		3.7141	3.2096
F5	2.4074	1.4129	2.8455	3.7141		2.7137
Cl6	2.8267	1.7906	4.1305	3.2096	2.7137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	119.072	C1	C2	Cl6	125.637
C2	C1	F3	123.960	C2	C1	F4	123.674
F3	C1	F4	112.367	F5	C2	Cl6	115.290

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

using model chemistry: MP2/CEP-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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All results from a given calculation for C2ClF3 (Ethene, chlorotrifluoro-)

using model chemistry: MP2/CEP-31G

States and conformations

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