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	hartrees
Energy at 0K	-316.780945
Energy at 298.15K
HF Energy	-315.970065
Nuclear repulsion energy	188.712459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3007	35.12
2	A	3134	2950	6.33
3	A	3115	2933	7.11
4	A	1577	1485	0.49
5	A	1525	1436	6.04
6	A	1486	1399	15.36
7	A	1344	1266	0.00
8	A	1275	1201	1.08
9	A	1156	1088	21.73
10	A	1042	981	36.14
11	A	906	853	0.18
12	A	558	525	4.16
13	A	253	238	3.72
14	A	89	84	3.23
15	B	3195	3008	40.67
16	B	3169	2983	16.81
17	B	3130	2946	70.81
18	B	1580	1488	2.05
19	B	1466	1380	14.19
20	B	1438	1353	6.79
21	B	1288	1212	7.28
22	B	1166	1097	14.42
23	B	1130	1064	76.08
24	B	995	937	23.60
25	B	803	756	2.74
26	B	422	397	7.59
27	B	207	195	11.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.002
C2	0.000	1.254	0.151
C3	0.000	-1.254	0.151
F4	1.152	1.257	-0.646
F5	-1.152	-1.257	-0.646
H6	0.883	-0.004	1.646
H7	-0.883	0.004	1.646
H8	-0.867	1.273	-0.510
H9	0.010	2.156	0.764
H10	0.867	-1.273	-0.510
H11	-0.010	-2.156	0.764

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5156	1.5156	2.3711	2.3711	1.0926	1.0926	2.1583	2.1690	2.1583	2.1690
C2	1.5156		2.5073	1.4002	2.8745	2.1439	2.1395	1.0898	1.0910	2.7514	3.4642
C3	1.5156	2.5073		2.8745	1.4002	2.1395	2.1439	2.7514	3.4642	1.0898	1.0910
F4	2.3711	1.4002	2.8745		3.4091	2.6292	3.3108	2.0227	2.0245	2.5492	3.8709
F5	2.3711	2.8745	1.4002	3.4091		3.3108	2.6292	2.5492	3.8709	2.0227	2.0245
H6	1.0926	2.1439	2.1395	2.6292	3.3108		1.7660	3.0558	2.4904	2.5017	2.4914
H7	1.0926	2.1395	2.1439	3.3108	2.6292	1.7660		2.5017	2.4914	3.0558	2.4904
H8	2.1583	1.0898	2.7514	2.0227	2.5492	3.0558	2.5017		1.7811	3.0796	3.7566
H9	2.1690	1.0910	3.4642	2.0245	3.8709	2.4904	2.4914	1.7811		3.7566	4.3117
H10	2.1583	2.7514	1.0898	2.5492	2.0227	2.5017	3.0558	3.0796	3.7566		1.7811
H11	2.1690	3.4642	1.0910	3.8709	2.0245	2.4914	2.4904	3.7566	4.3117	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.754	C1	C2	H8	110.806
C1	C2	H9	111.589	C1	C3	F5	108.754
C1	C3	H10	110.806	C1	C3	H11	111.589
C2	C1	C3	111.616	C2	C1	H6	109.498
C2	C1	H7	109.156	C3	C1	H6	109.156
C3	C1	H7	109.498	F4	C2	H8	108.003
F4	C2	H9	108.067	F5	C3	H10	108.003
F5	C3	H11	108.067	H6	C1	H7	107.838
H8	C2	H9	109.510	H10	C3	H11	109.510

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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