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	hartrees
Energy at 0K	-1753.818163
Energy at 298.15K	-1753.820041
HF Energy	-1752.541494
Nuclear repulsion energy	699.109836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1282	1230	54.62
2	A	1255	1204	204.29
3	A	1173	1126	205.23
4	A	1093	1049	89.63
5	A	932	894	180.11
6	A	830	796	250.55
7	A	662	635	10.53
8	A	538	516	3.58
9	A	466	447	1.29
10	A	448	430	0.73
11	A	401	385	0.67
12	A	357	343	0.48
13	A	319	306	0.54
14	A	294	282	0.14
15	A	247	237	0.16
16	A	202	194	1.27
17	A	168	161	0.80
18	A	74	71	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	0.150	0.313
C2	-0.723	-0.528	-0.232
F3	0.458	0.248	1.654
Cl4	1.972	-0.882	-0.071
Cl5	0.781	1.767	-0.386
Cl6	-2.173	0.383	0.231
F7	-0.652	-0.627	-1.565
F8	-0.803	-1.763	0.284

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5607	1.3491	1.7799	1.7739	2.7572	2.3732	2.3570
C2	1.5607		2.3559	2.7228	2.7474	1.7735	1.3383	1.3414
F3	1.3491	2.3559		2.5582	2.5636	2.9936	3.5150	2.7406
Cl4	1.7799	2.7228	2.5582		2.9211	4.3440	3.0306	2.9337
Cl5	1.7739	2.7474	2.5636	2.9211		3.3194	3.0286	3.9266
Cl6	2.7572	1.7735	2.9936	4.3440	3.3194		2.5601	2.5464
F7	2.3732	1.3383	3.5150	3.0306	3.0286	2.5601		2.1751
F8	2.3570	1.3414	2.7406	2.9337	3.9266	2.5464	2.1751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.411	C1	C2	F7	109.659
C1	C2	F8	108.381	C2	C1	F3	107.901
C2	C1	Cl4	109.013	C2	C1	Cl5	110.794
F3	C1	Cl4	108.911	F3	C1	Cl5	109.598
Cl4	C1	Cl5	110.562	Cl6	C2	F7	109.926
Cl6	C2	F8	108.875	F7	C2	F8	108.524

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: QCISD/cc-pVDZ

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 CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)