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	hartrees
Energy at 0K	-316.728916
Energy at 298.15K
HF Energy	-315.959695
Nuclear repulsion energy	188.426011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	2982	31.55
2	A	3101	2928	5.52
3	A	3079	2908	6.87
4	A	1574	1486	0.39
5	A	1522	1438	7.70
6	A	1479	1397	13.28
7	A	1340	1265	0.01
8	A	1271	1201	0.79
9	A	1156	1092	21.54
10	A	1044	985	36.85
11	A	908	857	0.07
12	A	560	529	3.98
13	A	257	243	4.24
14	A	89	84	3.50
15	B	3159	2983	35.09
16	B	3127	2953	17.66
17	B	3097	2925	63.07
18	B	1577	1489	2.28
19	B	1462	1380	13.29
20	B	1433	1353	6.88
21	B	1283	1211	6.97
22	B	1165	1101	15.29
23	B	1132	1069	78.63
24	B	997	942	23.36
25	B	805	760	2.13
26	B	423	399	7.80
27	B	210	199	12.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.000
C2	0.000	1.255	0.148
C3	0.000	-1.255	0.148
F4	1.157	1.261	-0.642
F5	-1.157	-1.261	-0.642
H6	0.887	-0.002	1.647
H7	-0.887	0.002	1.647
H8	-0.865	1.275	-0.522
H9	0.007	2.162	0.763
H10	0.865	-1.275	-0.522
H11	-0.007	-2.162	0.763

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5162	1.5162	2.3712	2.3712	1.0983	1.0983	2.1655	2.1750	2.1655	2.1750
C2	1.5162		2.5095	1.4008	2.8797	2.1478	2.1454	1.0947	1.0963	2.7561	3.4719
C3	1.5162	2.5095		2.8797	1.4008	2.1454	2.1478	2.7561	3.4719	1.0947	1.0963
F4	2.3712	1.4008	2.8797		3.4227	2.6283	3.3169	2.0253	2.0269	2.5555	3.8793
F5	2.3712	2.8797	1.4008	3.4227		3.3169	2.6283	2.5555	3.8793	2.0253	2.0269
H6	1.0983	2.1478	2.1454	2.6283	3.3169		1.7743	3.0671	2.4979	2.5152	2.4992
H7	1.0983	2.1454	2.1478	3.3169	2.6283	1.7743		2.5152	2.4992	3.0671	2.4979
H8	2.1655	1.0947	2.7561	2.0253	2.5555	3.0671	2.5152		1.7892	3.0811	3.7686
H9	2.1750	1.0963	3.4719	2.0269	3.8793	2.4979	2.4992	1.7892		3.7686	4.3244
H10	2.1655	2.7561	1.0947	2.5555	2.0253	2.5152	3.0671	3.0811	3.7686		1.7892
H11	2.1750	3.4719	1.0963	3.8793	2.0269	2.4992	2.4979	3.7686	4.3244	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.696	C1	C2	H8	111.041
C1	C2	H9	111.710	C1	C3	F5	108.696
C1	C3	H10	111.041	C1	C3	H11	111.710
C2	C1	C3	111.691	C2	C1	H6	109.425
C2	C1	H7	109.234	C3	C1	H6	109.234
C3	C1	H7	109.425	F4	C2	H8	107.873
F4	C2	H9	107.903	F5	C3	H10	107.873
F5	C3	H11	107.903	H6	C1	H7	107.746
H8	C2	H9	109.486	H10	C3	H11	109.486

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

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

States and conformations

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