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	hartrees
Energy at 0K	-316.937979
Energy at 298.15K
HF Energy	-316.005945
Nuclear repulsion energy	186.145119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3131	3040
2	A	3070	2981
3	A	3037	2949
4	A	1497	1454
5	A	1441	1399
6	A	1415	1374
7	A	1295	1258
8	A	1223	1188
9	A	1110	1078
10	A	986	957
11	A	875	850
12	A	526	511
13	A	241	234
14	A	82	79
15	B	3129	3039
16	B	3092	3003
17	B	3066	2978
18	B	1496	1453
19	B	1404	1363
20	B	1371	1331
21	B	1239	1203
22	B	1120	1088
23	B	1068	1037
24	B	944	916
25	B	770	748
26	B	408	396
27	B	182	177

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.985
C2	0.000	1.266	0.136
C3	0.000	-1.266	0.136
F4	1.197	1.316	-0.621
F5	-1.197	-1.316	-0.621
H6	0.895	-0.007	1.635
H7	-0.895	0.007	1.635
H8	-0.838	1.275	-0.580
H9	-0.028	2.175	0.760
H10	0.838	-1.275	-0.580
H11	0.028	-2.175	0.760

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5243	1.5243	2.3970	2.3970	1.1059	1.1059	2.1860	2.1873	2.1860	2.1873
C2	1.5243		2.5320	1.4172	2.9453	2.1606	2.1522	1.1024	1.1028	2.7700	3.4975
C3	1.5243	2.5320		2.9453	1.4172	2.1522	2.1606	2.7700	3.4975	1.1024	1.1028
F4	2.3970	1.4172	2.9453		3.5584	2.6331	3.3436	2.0356	2.0355	2.6167	3.9327
F5	2.3970	2.9453	1.4172	3.5584		3.3436	2.6331	2.6167	3.9327	2.0356	2.0355
H6	1.1059	2.1606	2.1522	2.6331	3.3436		1.7896	3.0910	2.5262	2.5532	2.4940
H7	1.1059	2.1522	2.1606	3.3436	2.6331	1.7896		2.5532	2.4940	3.0910	2.5262
H8	2.1860	1.1024	2.7700	2.0356	2.6167	3.0910	2.5532		1.8060	3.0517	3.8014
H9	2.1873	1.1028	3.4975	2.0355	3.9327	2.5262	2.4940	1.8060		3.8014	4.3512
H10	2.1860	2.7700	1.1024	2.6167	2.0356	2.5532	3.0910	3.0517	3.8014		1.8060
H11	2.1873	3.4975	1.1028	3.9327	2.0355	2.4940	2.5262	3.8014	4.3512	1.8060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.094	C1	C2	H8	111.645
C1	C2	H9	111.722	C1	C3	F5	109.094
C1	C3	H10	111.645	C1	C3	H11	111.722
C2	C1	C3	112.307	C2	C1	H6	109.432
C2	C1	H7	108.779	C3	C1	H6	108.779
C3	C1	H7	109.432	F4	C2	H8	107.120
F4	C2	H9	107.088	F5	C3	H10	107.120
F5	C3	H11	107.088	H6	C1	H7	108.018
H8	C2	H9	109.955	H10	C3	H11	109.955

All results from a given calculation for CH₂FCH₂CH₂F (1,3-difluoropropane)

using model chemistry: CCSD(T)=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 CH2FCH2CH2F (1,3-difluoropropane)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂FCH₂CH₂F (1,3-difluoropropane)