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	hartrees
Energy at 0K	-316.855532
Energy at 298.15K
HF Energy	-316.006399
Nuclear repulsion energy	186.469535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3180	3049	18.69	43.80	0.73	0.84
2	A	3109	2982	3.49	248.76	0.02	0.03
3	A	3077	2951	7.91	100.50	0.10	0.19
4	A	1507	1445	0.14	6.76	0.74	0.85
5	A	1445	1385	9.47	4.60	0.71	0.83
6	A	1421	1363	6.58	0.88	0.08	0.14
7	A	1306	1253	0.65	10.25	0.61	0.76
8	A	1230	1180	0.97	3.87	0.54	0.70
9	A	1116	1071	19.27	1.63	0.75	0.85
10	A	992	951	47.99	4.68	0.68	0.81
11	A	886	850	1.88	12.83	0.04	0.07
12	A	529	508	3.39	0.59	0.62	0.76
13	A	242	232	4.68	0.31	0.19	0.32
14	A	85	81	4.21	0.12	0.74	0.85
15	B	3179	3049	16.80	41.89	0.75	0.86
16	B	3140	3011	19.24	54.98	0.75	0.86
17	B	3107	2980	50.51	33.52	0.75	0.86
18	B	1506	1444	3.60	0.15	0.75	0.86
19	B	1409	1351	12.05	0.06	0.75	0.86
20	B	1377	1320	2.40	0.53	0.75	0.86
21	B	1246	1195	7.18	0.31	0.75	0.86
22	B	1130	1084	7.42	1.21	0.75	0.86
23	B	1072	1028	96.21	3.07	0.75	0.86
24	B	951	912	41.45	3.09	0.75	0.86
25	B	775	744	3.40	0.80	0.75	0.86
26	B	412	395	8.43	0.31	0.75	0.86
27	B	187	179	10.97	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.982
C2	0.000	1.262	0.137
C3	0.000	-1.262	0.137
F4	1.197	1.315	-0.620
F5	-1.197	-1.315	-0.620
H6	0.892	-0.007	1.631
H7	-0.892	0.007	1.631
H8	-0.835	1.272	-0.577
H9	-0.027	2.169	0.760
H10	0.835	-1.272	-0.577
H11	0.027	-2.169	0.760

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5187	1.5187	2.3932	2.3932	1.1032	1.1032	2.1790	2.1805	2.1790	2.1805
C2	1.5187		2.5248	1.4173	2.9408	2.1536	2.1450	1.0995	1.1000	2.7630	3.4875
C3	1.5187	2.5248		2.9408	1.4173	2.1450	2.1536	2.7630	3.4875	1.0995	1.1000
F4	2.3932	1.4173	2.9408		3.5558	2.6283	3.3376	2.0330	2.0328	2.6128	3.9255
F5	2.3932	2.9408	1.4173	3.5558		3.3376	2.6283	2.6128	3.9255	2.0330	2.0328
H6	1.1032	2.1536	2.1450	2.6283	3.3376		1.7842	3.0818	2.5180	2.5455	2.4857
H7	1.1032	2.1450	2.1536	3.3376	2.6283	1.7842		2.5455	2.4857	3.0818	2.5180
H8	2.1790	1.0995	2.7630	2.0330	2.6128	3.0818	2.5455		1.8013	3.0444	3.7916
H9	2.1805	1.1000	3.4875	2.0328	3.9255	2.5180	2.4857	1.8013		3.7916	4.3383
H10	2.1790	2.7630	1.0995	2.6128	2.0330	2.5455	3.0818	3.0444	3.7916		1.8013
H11	2.1805	3.4875	1.1000	3.9255	2.0328	2.4857	2.5180	3.7916	4.3383	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.148	C1	C2	H8	111.657
C1	C2	H9	111.747	C1	C3	F5	109.148
C1	C3	H10	111.657	C1	C3	H11	111.747
C2	C1	C3	112.448	C2	C1	H6	109.426
C2	C1	H7	108.755	C3	C1	H6	108.755
C3	C1	H7	109.426	F4	C2	H8	107.076
F4	C2	H9	107.034	F5	C3	H10	107.076
F5	C3	H11	107.034	H6	C1	H7	107.929
H8	C2	H9	109.958	H10	C3	H11	109.958

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

using model chemistry: MP2/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: MP2/aug-cc-pVDZ

States and conformations

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