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	hartrees
Energy at 0K	-317.452660
Energy at 298.15K
HF Energy	-317.148754
Nuclear repulsion energy	188.010976

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	3145	3145	31.95	51.42	0.74	0.85
2	A	3087	3087	2.80	225.89	0.01	0.02
3	A	3063	3063	9.10	75.33	0.23	0.38
4	A	1529	1529	0.80	12.39	0.74	0.85
5	A	1472	1472	10.12	7.29	0.68	0.81
6	A	1455	1455	7.69	1.88	0.31	0.48
7	A	1327	1327	0.45	19.14	0.70	0.83
8	A	1258	1258	1.19	7.49	0.68	0.81
9	A	1133	1133	17.86	2.15	0.74	0.85
10	A	1011	1011	47.42	4.36	0.75	0.86
11	A	886	886	0.16	9.06	0.11	0.20
12	A	540	540	4.26	0.66	0.69	0.82
13	A	247	247	3.85	0.29	0.24	0.39
14	A	89	89	3.93	0.03	0.68	0.81
15	B	3145	3145	29.93	41.88	0.75	0.86
16	B	3111	3111	28.22	71.63	0.75	0.86
17	B	3083	3083	58.57	47.60	0.75	0.86
18	B	1531	1531	4.01	0.01	0.75	0.86
19	B	1433	1433	11.41	0.83	0.75	0.86
20	B	1408	1408	3.24	0.71	0.75	0.86
21	B	1275	1275	7.59	1.03	0.75	0.86
22	B	1137	1137	13.24	0.62	0.75	0.86
23	B	1092	1092	91.96	3.71	0.75	0.86
24	B	973	973	32.90	3.27	0.75	0.86
25	B	791	791	3.81	0.82	0.75	0.86
26	B	422	422	7.88	0.43	0.75	0.86
27	B	191	191	11.16	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.980
C2	0.000	1.258	0.136
C3	0.000	-1.258	0.136
F4	1.175	1.305	-0.620
F5	-1.175	-1.305	-0.620
H6	0.884	-0.004	1.625
H7	-0.884	0.004	1.625
H8	-0.840	1.259	-0.559
H9	-0.031	2.155	0.756
H10	0.840	-1.259	-0.559
H11	0.031	-2.155	0.756

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5149	1.5149	2.3755	2.3755	1.0941	1.0941	2.1588	2.1672	2.1588	2.1672
C2	1.5149		2.5163	1.3981	2.9193	2.1422	2.1380	1.0906	1.0913	2.7436	3.4696
C3	1.5149	2.5163		2.9193	1.3981	2.1380	2.1422	2.7436	3.4696	1.0906	1.0913
F4	2.3755	1.3981	2.9193		3.5124	2.6142	3.3123	2.0171	2.0183	2.5868	3.8957
F5	2.3755	2.9193	1.3981	3.5124		3.3123	2.6142	2.5868	3.8957	2.0171	2.0183
H6	1.0941	2.1422	2.1380	2.6142	3.3123		1.7680	3.0556	2.5005	2.5193	2.4720
H7	1.0941	2.1380	2.1422	3.3123	2.6142	1.7680		2.5193	2.4720	3.0556	2.5005
H8	2.1588	1.0906	2.7436	2.0171	2.5868	3.0556	2.5193		1.7855	3.0279	3.7618
H9	2.1672	1.0913	3.4696	2.0183	3.8957	2.5005	2.4720	1.7855		3.7618	4.3112
H10	2.1588	2.7436	1.0906	2.5868	2.0171	2.5193	3.0556	3.0279	3.7618		1.7855
H11	2.1672	3.4696	1.0913	3.8957	2.0183	2.4720	2.5005	3.7618	4.3112	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.201	C1	C2	H8	110.847
C1	C2	H9	111.482	C1	C3	F5	109.201
C1	C3	H10	110.847	C1	C3	H11	111.482
C2	C1	C3	112.308	C2	C1	H6	109.326
C2	C1	H7	108.994	C3	C1	H6	108.994
C3	C1	H7	109.326	F4	C2	H8	107.645
F4	C2	H9	107.699	F5	C3	H10	107.645
F5	C3	H11	107.699	H6	C1	H7	107.789
H8	C2	H9	109.835	H10	C3	H11	109.835

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

using model chemistry: B2PLYP=FULL/6-311G**

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: B2PLYP=FULL/6-311G**

States and conformations

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