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	hartrees
Energy at 0K	-316.978176
Energy at 298.15K
HF Energy	-316.103335
Nuclear repulsion energy	189.517308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3256	27.52
2	A	3202	3202	3.78
3	A	3175	3175	6.67
4	A	1598	1598	0.46
5	A	1534	1534	11.46
6	A	1521	1521	6.68
7	A	1388	1388	1.50
8	A	1315	1315	0.65
9	A	1200	1200	32.21
10	A	1083	1083	41.06
11	A	920	920	0.05
12	A	559	559	3.61
13	A	254	254	4.22
14	A	86	86	4.42
15	B	3256	3256	24.83
16	B	3225	3225	26.20
17	B	3198	3198	50.61
18	B	1598	1598	3.95
19	B	1507	1507	16.08
20	B	1470	1470	2.46
21	B	1338	1338	7.52
22	B	1186	1186	41.83
23	B	1173	1173	104.84
24	B	1018	1018	21.16
25	B	829	829	3.01
26	B	438	438	8.54
27	B	191	191	10.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.958
C2	0.000	1.255	0.125
C3	0.000	-1.255	0.125
F4	1.164	1.328	-0.600
F5	-1.164	-1.328	-0.600
H6	0.875	-0.005	1.596
H7	-0.875	0.005	1.596
H8	-0.824	1.263	-0.573
H9	-0.053	2.135	0.750
H10	0.824	-1.263	-0.573
H11	0.053	-2.135	0.750

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5056	1.5056	2.3549	2.3549	1.0829	1.0829	2.1484	2.1458	2.1484	2.1458
C2	1.5056		2.5096	1.3736	2.9247	2.1247	2.1192	1.0800	1.0803	2.7393	3.4472
C3	1.5056	2.5096		2.9247	1.3736	2.1192	2.1247	2.7393	3.4472	1.0800	1.0803
F4	2.3549	1.3736	2.9247		3.5326	2.5853	3.2759	1.9889	1.9884	2.6134	3.8794
F5	2.3549	2.9247	1.3736	3.5326		3.2759	2.5853	2.6134	3.8794	1.9889	1.9884
H6	1.0829	2.1247	2.1192	2.5853	3.2759		1.7492	3.0325	2.4811	2.5083	2.4351
H7	1.0829	2.1192	2.1247	3.2759	2.5853	1.7492		2.5083	2.4351	3.0325	2.4811
H8	2.1484	1.0800	2.7393	1.9889	2.6134	3.0325	2.5083		1.7618	3.0149	3.7500
H9	2.1458	1.0803	3.4472	1.9884	3.8794	2.4811	2.4351	1.7618		3.7500	4.2713
H10	2.1484	2.7393	1.0800	2.6134	1.9889	2.5083	3.0325	3.0149	3.7500		1.7618
H11	2.1458	3.4472	1.0803	3.8794	1.9884	2.4351	2.4811	3.7500	4.2713	1.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.665	C1	C2	H8	111.321
C1	C2	H9	111.082	C1	C3	F5	109.665
C1	C3	H10	111.321	C1	C3	H11	111.082
C2	C1	C3	112.895	C2	C1	H6	109.240
C2	C1	H7	108.806	C3	C1	H6	108.806
C3	C1	H7	109.240	F4	C2	H8	107.713
F4	C2	H9	107.652	F5	C3	H10	107.713
F5	C3	H11	107.652	H6	C1	H7	107.723
H8	C2	H9	109.279	H10	C3	H11	109.279

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

using model chemistry: CID/Def2TZVPP

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: CID/Def2TZVPP

States and conformations

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