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	hartrees
Energy at 0K	-376.803332
Energy at 298.15K
HF Energy	-375.836639
Nuclear repulsion energy	188.473226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3159	3081
2	A	3128	3050
3	A	3083	3007
4	A	1477	1441
5	A	1438	1403
6	A	1369	1335
7	A	1315	1283
8	A	1241	1211
9	A	1151	1122
10	A	1118	1090
11	A	1065	1039
12	A	1039	1014
13	A	892	870
14	A	553	539
15	A	464	453
16	A	412	402
17	A	236	230
18	A	119	116

Atom	x (Å)	y (Å)	z (Å)
C1	-0.770	-0.607	-0.289
C2	0.464	0.019	0.337
F3	-1.899	0.106	0.152
F4	1.557	-0.761	-0.009
F5	0.674	1.278	-0.185
H6	-0.711	-0.538	-1.387
H7	-0.868	-1.655	0.038
H8	0.422	0.106	1.435

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5192	1.4061	2.3495	2.3770	1.1019	1.1021	2.2137
C2	1.5192		2.3724	1.3865	1.3791	2.1595	2.1604	1.1018
F3	1.4061	2.3724		3.5673	2.8476	2.0479	2.0436	2.6525
F4	2.3495	1.3865	3.5673		2.2289	2.6635	2.5858	2.0304
F5	2.3770	1.3791	2.8476	2.2289		2.5805	3.3213	2.0154
H6	1.1019	2.1595	2.0479	2.6635	2.5805		1.8178	3.1080
H7	1.1021	2.1604	2.0436	2.5858	3.3213	1.8178		2.5914
H8	2.2137	1.1018	2.6525	2.0304	2.0154	3.1080	2.5914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.827	C1	C2	F5	110.104
C1	C2	H8	114.324	C2	C1	F3	108.329
C2	C1	H6	109.930	C2	C1	H7	109.990
F3	C1	H6	108.877	F3	C1	H7	108.522
F4	C2	F5	107.401	F4	C2	H8	108.832
F5	C2	H8	108.134	H6	C1	H7	111.128

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP4=FULL/aug-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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)