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	hartrees
Energy at 0K	-316.903866
Energy at 298.15K
HF Energy	-316.051616
Nuclear repulsion energy	188.506715

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	3181	3022	27.95	49.50	0.75	0.85
2	A	3114	2958	3.00	214.60	0.01	0.02
3	A	3092	2938	7.81	68.79	0.24	0.38
4	A	1541	1465	1.02	12.12	0.74	0.85
5	A	1479	1405	15.78	5.99	0.57	0.73
6	A	1469	1396	3.37	2.83	0.60	0.75
7	A	1339	1272	0.59	19.63	0.71	0.83
8	A	1270	1207	1.15	6.91	0.64	0.78
9	A	1150	1092	23.82	2.14	0.75	0.86
10	A	1035	984	37.93	4.28	0.73	0.85
11	A	901	857	0.05	9.19	0.11	0.19
12	A	547	520	4.23	0.62	0.69	0.82
13	A	252	239	3.71	0.27	0.23	0.37
14	A	88	83	3.68	0.02	0.71	0.83
15	B	3181	3023	28.07	35.90	0.75	0.86
16	B	3152	2995	16.69	74.31	0.75	0.86
17	B	3111	2956	63.61	39.42	0.75	0.86
18	B	1545	1468	3.40	0.00	0.75	0.86
19	B	1449	1377	14.45	0.66	0.75	0.86
20	B	1413	1343	2.86	0.70	0.75	0.86
21	B	1292	1228	8.95	0.80	0.75	0.86
22	B	1151	1093	12.19	0.79	0.75	0.86
23	B	1122	1066	93.40	3.98	0.75	0.86
24	B	985	936	22.05	3.08	0.75	0.86
25	B	797	757	2.77	0.70	0.75	0.86
26	B	427	406	7.53	0.40	0.75	0.86
27	B	205	195	11.04	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.986
C2	0.000	1.255	0.137
C3	0.000	-1.255	0.137
F4	1.166	1.291	-0.624
F5	-1.166	-1.291	-0.624
H6	0.887	-0.003	1.629
H7	-0.887	0.003	1.629
H8	-0.849	1.256	-0.550
H9	-0.024	2.155	0.758
H10	0.849	-1.256	-0.550
H11	0.024	-2.155	0.758

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5152	1.5152	2.3699	2.3699	1.0953	1.0953	2.1577	2.1669	2.1577	2.1669
C2	1.5152		2.5105	1.3927	2.9017	2.1432	2.1399	1.0919	1.0928	2.7385	3.4660
C3	1.5152	2.5105		2.9017	1.3927	2.1399	2.1432	2.7385	3.4660	1.0919	1.0928
F4	2.3699	1.3927	2.9017		3.4780	2.6125	3.3084	2.0161	2.0178	2.5674	3.8835
F5	2.3699	2.9017	1.3927	3.4780		3.3084	2.6125	2.5674	3.8835	2.0161	2.0178
H6	1.0953	2.1432	2.1399	2.6125	3.3084		1.7738	3.0565	2.4988	2.5132	2.4766
H7	1.0953	2.1399	2.1432	3.3084	2.6125	1.7738		2.5132	2.4766	3.0565	2.4988
H8	2.1577	1.0919	2.7385	2.0161	2.5674	3.0565	2.5132		1.7877	3.0321	3.7556
H9	2.1669	1.0928	3.4660	2.0178	3.8835	2.4988	2.4766	1.7877		3.7556	4.3097
H10	2.1577	2.7385	1.0919	2.5674	2.0161	2.5132	3.0565	3.0321	3.7556		1.7877
H11	2.1669	3.4660	1.0928	3.8835	2.0178	2.4766	2.4988	3.7556	4.3097	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.100	C1	C2	H8	110.664
C1	C2	H9	111.344	C1	C3	F5	109.100
C1	C3	H10	110.664	C1	C3	H11	111.344
C2	C1	C3	111.880	C2	C1	H6	109.315
C2	C1	H7	109.057	C3	C1	H6	109.057
C3	C1	H7	109.315	F4	C2	H8	107.864
F4	C2	H9	107.941	F5	C3	H10	107.864
F5	C3	H11	107.941	H6	C1	H7	108.142
H8	C2	H9	109.821	H10	C3	H11	109.821

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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