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	hartrees
Energy at 0K	-316.898370
Energy at 298.15K
HF Energy	-316.041578
Nuclear repulsion energy	188.130087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3137	3004	32.58
2	A	3080	2949	4.69
3	A	3052	2922	10.16
4	A	1554	1488	0.31
5	A	1499	1435	10.56
6	A	1471	1408	10.18
7	A	1337	1280	0.40
8	A	1271	1217	1.00
9	A	1147	1098	23.26
10	A	1032	988	41.61
11	A	894	856	0.10
12	A	554	531	4.38
13	A	252	241	4.20
14	A	87	83	4.00
15	B	3138	3004	33.78
16	B	3102	2970	25.79
17	B	3076	2945	63.06
18	B	1557	1490	3.39
19	B	1452	1391	14.31
20	B	1421	1361	4.44
21	B	1287	1232	7.54
22	B	1153	1104	13.54
23	B	1120	1073	94.33
24	B	982	940	24.75
25	B	795	761	2.85
26	B	424	406	8.06
27	B	203	194	11.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.987
C2	0.000	1.261	0.142
C3	0.000	-1.261	0.142
F4	1.159	1.294	-0.631
F5	-1.159	-1.294	-0.631
H6	0.887	-0.003	1.635
H7	-0.887	0.003	1.635
H8	-0.855	1.280	-0.541
H9	-0.008	2.162	0.766
H10	0.855	-1.280	-0.541
H11	0.008	-2.162	0.766

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5179	1.5179	2.3742	2.3742	1.0983	1.0983	2.1691	2.1731	2.1691	2.1731
C2	1.5179		2.5219	1.3934	2.9103	2.1477	2.1441	1.0944	1.0957	2.7666	3.4791
C3	1.5179	2.5219		2.9103	1.3934	2.1441	2.1477	2.7666	3.4791	1.0944	1.0957
F4	2.3742	1.3934	2.9103		3.4743	2.6251	3.3146	2.0153	2.0160	2.5938	3.9014
F5	2.3742	2.9103	1.3934	3.4743		3.3146	2.6251	2.5938	3.9014	2.0153	2.0160
H6	1.0983	2.1477	2.1441	2.6251	3.3146		1.7743	3.0684	2.4984	2.5233	2.4877
H7	1.0983	2.1441	2.1477	3.3146	2.6251	1.7743		2.5233	2.4877	3.0684	2.4984
H8	2.1691	1.0944	2.7666	2.0153	2.5938	3.0684	2.5233		1.7898	3.0782	3.7813
H9	2.1731	1.0957	3.4791	2.0160	3.9014	2.4984	2.4877	1.7898		3.7813	4.3236
H10	2.1691	2.7666	1.0944	2.5938	2.0153	2.5233	3.0684	3.0782	3.7813		1.7898
H11	2.1731	3.4791	1.0957	3.9014	2.0160	2.4877	2.4984	3.7813	4.3236	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.199	C1	C2	H8	111.233
C1	C2	H9	111.475	C1	C3	F5	109.199
C1	C3	H10	111.233	C1	C3	H11	111.475
C2	C1	C3	112.344	C2	C1	H6	109.300
C2	C1	H7	109.021	C3	C1	H6	109.021
C3	C1	H7	109.300	F4	C2	H8	107.596
F4	C2	H9	107.576	F5	C3	H10	107.596
F5	C3	H11	107.576	H6	C1	H7	107.747
H8	C2	H9	109.614	H10	C3	H11	109.614

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

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

States and conformations

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