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	hartrees
Energy at 0K	-314.759104
Energy at 298.15K
HF Energy	-314.245674
Nuclear repulsion energy	187.851528

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	3188	3044	24.58	41.89	0.74	0.85
2	A	3128	2987	5.36	169.52	0.00	0.00
3	A	3118	2977	1.36	39.88	0.73	0.84
4	A	1614	1541	1.38	21.69	0.74	0.85
5	A	1567	1496	6.00	11.88	0.75	0.86
6	A	1501	1433	7.59	4.19	0.74	0.85
7	A	1369	1307	0.89	28.24	0.72	0.84
8	A	1290	1232	0.55	14.68	0.74	0.85
9	A	1150	1098	5.97	2.91	0.74	0.85
10	A	1027	981	27.77	5.98	0.58	0.74
11	A	884	844	0.91	11.57	0.13	0.24
12	A	560	535	2.93	1.04	0.68	0.81
13	A	262	251	5.23	0.31	0.46	0.63
14	A	87	83	3.41	0.04	0.63	0.78
15	B	3192	3048	29.38	10.99	0.75	0.86
16	B	3170	3027	6.66	81.51	0.75	0.86
17	B	3122	2981	62.25	36.72	0.75	0.86
18	B	1624	1551	3.70	0.13	0.75	0.86
19	B	1476	1409	8.12	1.60	0.75	0.86
20	B	1449	1383	4.32	2.63	0.75	0.86
21	B	1284	1226	8.16	2.65	0.75	0.86
22	B	1162	1110	16.58	0.03	0.75	0.86
23	B	1094	1044	30.04	5.71	0.75	0.86
24	B	1000	955	17.69	4.81	0.75	0.86
25	B	808	771	2.38	0.97	0.75	0.86
26	B	392	374	8.03	0.38	0.75	0.86
27	B	213	204	16.44	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.051
C2	0.000	1.244	0.159
C3	0.000	-1.244	0.159
F4	1.172	1.179	-0.673
F5	-1.172	-1.179	-0.673
H6	0.891	-0.006	1.685
H7	-0.891	0.006	1.685
H8	-0.883	1.220	-0.480
H9	0.025	2.167	0.742
H10	0.883	-1.220	-0.480
H11	-0.025	-2.167	0.742

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5305	1.5305	2.3946	2.3946	1.0938	1.0938	2.1479	2.1890	2.1479	2.1890
C2	1.5305		2.4873	1.4384	2.8166	2.1645	2.1576	1.0905	1.0925	2.6941	3.4603
C3	1.5305	2.4873		2.8166	1.4384	2.1576	2.1645	2.6941	3.4603	1.0905	1.0925
F4	2.3946	1.4384	2.8166		3.3245	2.6536	3.3453	2.0646	2.0721	2.4238	3.8249
F5	2.3946	2.8166	1.4384	3.3245		3.3453	2.6536	2.4238	3.8249	2.0646	2.0721
H6	1.0938	2.1645	2.1576	2.6536	3.3453		1.7826	3.0562	2.5220	2.4824	2.5295
H7	1.0938	2.1576	2.1645	3.3453	2.6536	1.7826		2.4824	2.5295	3.0562	2.5220
H8	2.1479	1.0905	2.6941	2.0646	2.4238	3.0562	2.4824		1.7936	3.0123	3.7017
H9	2.1890	1.0925	3.4603	2.0721	3.8249	2.5220	2.5295	1.7936		3.7017	4.3342
H10	2.1479	2.6941	1.0905	2.4238	2.0646	2.4824	3.0562	3.0123	3.7017		1.7936
H11	2.1890	3.4603	1.0925	3.8249	2.0721	2.5295	2.5220	3.7017	4.3342	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.479	C1	C2	H8	108.904
C1	C2	H9	112.048	C1	C3	F5	107.479
C1	C3	H10	108.904	C1	C3	H11	112.048
C2	C1	C3	108.694	C2	C1	H6	110.018
C2	C1	H7	109.477	C3	C1	H6	109.477
C3	C1	H7	110.018	F4	C2	H8	108.668
F4	C2	H9	109.149	F5	C3	H10	108.668
F5	C3	H11	109.149	H6	C1	H7	109.145
H8	C2	H9	110.491	H10	C3	H11	110.491

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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