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	hartrees
Energy at 0K	-316.790010
Energy at 298.15K
HF Energy	-315.985953
Nuclear repulsion energy	187.493968

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	3239	3042	19.14	45.81	0.75	0.86
2	A	3164	2972	3.76	203.09	0.02	0.04
3	A	3131	2941	7.79	90.85	0.13	0.23
4	A	1565	1470	0.18	11.06	0.75	0.86
5	A	1503	1412	9.59	6.78	0.73	0.85
6	A	1463	1374	11.13	1.32	0.35	0.52
7	A	1338	1257	0.20	16.65	0.70	0.82
8	A	1258	1181	0.95	6.34	0.66	0.80
9	A	1142	1073	17.12	1.90	0.72	0.84
10	A	1013	951	50.66	6.00	0.62	0.77
11	A	900	846	1.33	10.58	0.06	0.12
12	A	544	511	4.02	0.67	0.66	0.80
13	A	250	235	5.25	0.25	0.20	0.34
14	A	86	81	4.92	0.09	0.74	0.85
15	B	3238	3041	17.74	45.13	0.75	0.86
16	B	3195	3001	17.13	61.09	0.75	0.86
17	B	3162	2970	51.54	38.78	0.75	0.86
18	B	1564	1469	2.82	0.07	0.75	0.86
19	B	1452	1364	12.50	0.39	0.75	0.86
20	B	1420	1334	8.12	1.14	0.75	0.86
21	B	1273	1195	6.74	0.81	0.75	0.86
22	B	1156	1085	8.16	1.54	0.75	0.86
23	B	1096	1029	98.89	3.35	0.75	0.86
24	B	975	916	44.93	3.71	0.75	0.86
25	B	799	750	4.30	0.94	0.75	0.86
26	B	422	397	8.91	0.36	0.75	0.86
27	B	191	180	12.43	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.975
C2	0.000	1.257	0.137
C3	0.000	-1.257	0.137
F4	1.195	1.306	-0.616
F5	-1.195	-1.306	-0.616
H6	0.882	-0.003	1.618
H7	-0.882	0.003	1.618
H8	-0.824	1.271	-0.572
H9	-0.023	2.152	0.754
H10	0.824	-1.271	-0.572
H11	0.023	-2.152	0.754

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5100	1.5100	2.3803	2.3803	1.0913	1.0913	2.1648	2.1638	2.1648	2.1638
C2	1.5100		2.5133	1.4136	2.9266	2.1343	2.1309	1.0872	1.0879	2.7516	3.4645
C3	1.5100	2.5133		2.9266	1.4136	2.1309	2.1343	2.7516	3.4645	1.0872	1.0879
F4	2.3803	1.4136	2.9266		3.5408	2.6083	3.3170	2.0194	2.0193	2.6045	3.9007
F5	2.3803	2.9266	1.4136	3.5408		3.3170	2.6083	2.6045	3.9007	2.0194	2.0193
H6	1.0913	2.1343	2.1309	2.6083	3.3170		1.7635	3.0539	2.4919	2.5311	2.4705
H7	1.0913	2.1309	2.1343	3.3170	2.6083	1.7635		2.5311	2.4705	3.0539	2.4919
H8	2.1648	1.0872	2.7516	2.0194	2.6045	3.0539	2.5311		1.7823	3.0294	3.7678
H9	2.1638	1.0879	3.4645	2.0193	3.9007	2.4919	2.4705	1.7823		3.7678	4.3051
H10	2.1648	2.7516	1.0872	2.6045	2.0194	2.5311	3.0539	3.0294	3.7678		1.7823
H11	2.1638	3.4645	1.0879	3.9007	2.0193	2.4705	2.4919	3.7678	4.3051	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.965	C1	C2	H8	111.893
C1	C2	H9	111.764	C1	C3	F5	108.965
C1	C3	H10	111.893	C1	C3	H11	111.764
C2	C1	C3	112.648	C2	C1	H6	109.202
C2	C1	H7	108.936	C3	C1	H6	108.936
C3	C1	H7	109.202	F4	C2	H8	106.982
F4	C2	H9	106.935	F5	C3	H10	106.982
F5	C3	H11	106.935	H6	C1	H7	107.800
H8	C2	H9	110.056	H10	C3	H11	110.056

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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