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	hartrees
Energy at 0K
Energy at 298.15K	-0.170455
HF Energy	-0.170455
Nuclear repulsion energy	139.777035

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	3049	2970	5.31	97.96	0.09	0.17
2	A	3018	2939	0.60	128.44	0.03	0.06
3	A	2972	2895	0.30	71.65	0.74	0.85
4	A	1515	1476	36.11	2.75	0.50	0.67
5	A	1394	1357	3.32	19.42	0.71	0.83
6	A	1359	1324	1.36	66.75	0.73	0.84
7	A	1174	1143	0.00	30.01	0.65	0.79
8	A	1130	1101	0.91	31.32	0.74	0.85
9	A	1055	1028	4.60	19.85	0.75	0.86
10	A	1017	991	2.39	14.17	0.58	0.73
11	A	914	891	0.06	8.43	0.46	0.63
12	A	543	529	1.21	1.74	0.74	0.85
13	A	283	276	3.00	0.38	0.41	0.58
14	A	67	65	3.65	0.02	0.71	0.83
15	B	3018	2940	1.74	40.18	0.75	0.86
16	B	2981	2903	5.50	45.45	0.75	0.86
17	B	2970	2892	0.04	126.40	0.75	0.86
18	B	1512	1473	77.62	0.93	0.75	0.86
19	B	1375	1339	6.31	3.73	0.75	0.86
20	B	1311	1277	1.20	0.76	0.75	0.86
21	B	1159	1129	7.66	9.89	0.75	0.86
22	B	1115	1086	5.41	11.15	0.75	0.86
23	B	1067	1039	5.28	1.36	0.75	0.86
24	B	972	947	1.84	2.31	0.75	0.86
25	B	838	816	0.39	0.76	0.75	0.86
26	B	468	456	5.77	0.31	0.75	0.86
27	B	149	145	4.86	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.961
C2	0.000	1.268	0.108
C3	0.000	-1.268	0.108
F4	1.161	1.418	-0.583
F5	-1.161	-1.418	-0.583
H6	0.886	-0.020	1.623
H7	-0.886	0.020	1.623
H8	-0.814	1.257	-0.636
H9	-0.110	2.169	0.734
H10	0.814	-1.257	-0.636
H11	0.110	-2.169	0.734

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5279	1.5279	2.3964	2.3964	1.1066	1.1066	2.1890	2.1831	2.1890	2.1831
C2	1.5279		2.5356	1.3596	3.0066	2.1774	2.1535	1.1030	1.1024	2.7549	3.4946
C3	1.5279	2.5356		3.0066	1.3596	2.1535	2.1774	2.7549	3.4946	1.1030	1.1024
F4	2.3964	1.3596	3.0066		3.6657	2.6484	3.3187	1.9828	1.9785	2.6976	3.9626
F5	2.3964	3.0066	1.3596	3.6657		3.3187	2.6484	2.6976	3.9626	1.9828	1.9785
H6	1.1066	2.1774	2.1535	2.6484	3.3187		1.7725	3.1028	2.5642	2.5765	2.4510
H7	1.1066	2.1535	2.1774	3.3187	2.6484	1.7725		2.5765	2.4510	3.1028	2.5642
H8	2.1890	1.1030	2.7549	1.9828	2.6976	3.1028	2.5765		1.7899	2.9949	3.8031
H9	2.1831	1.1024	3.4946	1.9785	3.9626	2.5642	2.4510	1.7899		3.8031	4.3426
H10	2.1890	2.7549	1.1030	2.6976	1.9828	2.5765	3.1028	2.9949	3.8031		1.7899
H11	2.1831	3.4946	1.1024	3.9626	1.9785	2.4510	2.5642	3.8031	4.3426	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	112.047	C1	C2	H8	111.596
C1	C2	H9	111.162	C1	C3	F5	112.047
C1	C3	H10	111.596	C1	C3	H11	111.162
C2	C1	C3	112.148	C2	C1	H6	110.459
C2	C1	H7	108.598	C3	C1	H6	108.598
C3	C1	H7	110.459	F4	C2	H8	106.787
F4	C2	H9	106.487	F5	C3	H10	106.787
F5	C3	H11	106.487	H6	C1	H7	106.426
H8	C2	H9	108.505	H10	C3	H11	108.505

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

using model chemistry: PM3

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: PM3

States and conformations

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