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	hartrees
Energy at 0K	-316.823476
Energy at 298.15K
HF Energy	-315.981672
Nuclear repulsion energy	187.632854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3018	36.24
2	A	3089	2964	5.10
3	A	3071	2946	7.24
4	A	1514	1453	0.56
5	A	1462	1403	13.71
6	A	1448	1390	7.93
7	A	1317	1263	0.32
8	A	1250	1199	1.05
9	A	1141	1094	26.45
10	A	1028	986	35.10
11	A	894	858	0.34
12	A	538	516	3.90
13	A	248	238	3.46
14	A	86	82	3.50
15	B	3148	3020	38.29
16	B	3126	2999	17.38
17	B	3084	2959	70.19
18	B	1518	1457	2.33
19	B	1437	1379	15.65
20	B	1396	1340	4.82
21	B	1268	1217	7.88
22	B	1138	1092	8.66
23	B	1119	1073	95.27
24	B	975	935	22.89
25	B	787	755	3.28
26	B	417	400	7.35
27	B	197	189	10.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.991
C2	0.000	1.261	0.137
C3	0.000	-1.261	0.137
F4	1.166	1.297	-0.627
F5	-1.166	-1.297	-0.627
H6	0.894	-0.003	1.642
H7	-0.894	0.003	1.642
H8	-0.862	1.261	-0.553
H9	-0.030	2.171	0.763
H10	0.862	-1.261	-0.553
H11	0.030	-2.171	0.763

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5226	1.5226	2.3791	2.3791	1.1062	1.1062	2.1719	2.1829	2.1719	2.1829
C2	1.5226		2.5215	1.3949	2.9131	2.1593	2.1552	1.1040	1.1046	2.7531	3.4882
C3	1.5226	2.5215		2.9131	1.3949	2.1552	2.1593	2.7531	3.4882	1.1040	1.1046
F4	2.3791	1.3949	2.9131		3.4886	2.6293	3.3268	2.0296	2.0315	2.5774	3.9047
F5	2.3791	2.9131	1.3949	3.4886		3.3268	2.6293	2.5774	3.9047	2.0296	2.0315
H6	1.1062	2.1593	2.1552	2.6293	3.3268		1.7886	3.0824	2.5209	2.5303	2.4933
H7	1.1062	2.1552	2.1593	3.3268	2.6293	1.7886		2.5303	2.4933	3.0824	2.5209
H8	2.1719	1.1040	2.7531	2.0296	2.5774	3.0824	2.5303		1.8027	3.0549	3.7823
H9	2.1829	1.1046	3.4882	2.0315	3.9047	2.5209	2.4933	1.8027		3.7823	4.3418
H10	2.1719	2.7531	1.1040	2.5774	2.0296	2.5303	3.0824	3.0549	3.7823		1.8027
H11	2.1829	3.4882	1.1046	3.9047	2.0315	2.4933	2.5209	3.7823	4.3418	1.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.185	C1	C2	H8	110.548
C1	C2	H9	111.381	C1	C3	F5	109.185
C1	C3	H10	110.548	C1	C3	H11	111.381
C2	C1	C3	111.796	C2	C1	H6	109.425
C2	C1	H7	109.114	C3	C1	H6	109.114
C3	C1	H7	109.425	F4	C2	H8	108.054
F4	C2	H9	108.169	F5	C3	H10	108.054
F5	C3	H11	108.169	H6	C1	H7	107.884
H8	C2	H9	109.412	H10	C3	H11	109.412

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

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 CH2FCH2CH2F (1,3-difluoropropane)

using model chemistry: QCISD/cc-pVDZ

States and conformations

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