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	hartrees
Energy at 0K	-317.174201
Energy at 298.15K
HF Energy	-316.086606
Nuclear repulsion energy	188.121526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3122	2961
2	A	3068	2910
3	A	3049	2893
4	A	1524	1446
5	A	1461	1386
6	A	1445	1370
7	A	1319	1252
8	A	1250	1186
9	A	1138	1079
10	A	1021	969
11	A	884	838
12	A	534	507
13	A	245	232
14	A	83	79
15	B	3123	2962
16	B	3098	2939
17	B	3064	2907
18	B	1524	1446
19	B	1423	1350
20	B	1396	1324
21	B	1268	1203
22	B	1130	1072
23	B	1105	1048
24	B	969	919
25	B	787	747
26	B	416	395
27	B	186	177

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.975
C2	0.000	1.258	0.129
C3	0.000	-1.258	0.129
F4	1.178	1.315	-0.611
F5	-1.178	-1.315	-0.611
H6	0.884	-0.004	1.619
H7	-0.884	0.004	1.619
H8	-0.835	1.257	-0.573
H9	-0.047	2.153	0.751
H10	0.835	-1.257	-0.573
H11	0.047	-2.153	0.751

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5158	1.5158	2.3731	2.3731	1.0936	1.0936	2.1619	2.1656	2.1619	2.1656
C2	1.5158		2.5154	1.3923	2.9244	2.1429	2.1386	1.0911	1.0912	2.7410	3.4676
C3	1.5158	2.5154		2.9244	1.3923	2.1386	2.1429	2.7410	3.4676	1.0911	1.0912
F4	2.3731	1.3923	2.9244		3.5302	2.6070	3.3080	2.0140	2.0143	2.5944	3.8937
F5	2.3731	2.9244	1.3923	3.5302		3.3080	2.6070	2.5944	3.8937	2.0140	2.0143
H6	1.0936	2.1429	2.1386	2.6070	3.3080		1.7682	3.0576	2.5046	2.5254	2.4651
H7	1.0936	2.1386	2.1429	3.3080	2.6070	1.7682		2.5254	2.4651	3.0576	2.5046
H8	2.1619	1.0911	2.7410	2.0140	2.5944	3.0576	2.5254		1.7827	3.0177	3.7628
H9	2.1656	1.0912	3.4676	2.0143	3.8937	2.5046	2.4651	1.7827		3.7628	4.3079
H10	2.1619	2.7410	1.0911	2.5944	2.0140	2.5254	3.0576	3.0177	3.7628		1.7827
H11	2.1656	3.4676	1.0912	3.8937	2.0143	2.4651	2.5046	3.7628	4.3079	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.306	C1	C2	H8	111.009
C1	C2	H9	111.298	C1	C3	F5	109.306
C1	C3	H10	111.009	C1	C3	H11	111.298
C2	C1	C3	112.148	C2	C1	H6	109.348
C2	C1	H7	109.011	C3	C1	H6	109.011
C3	C1	H7	109.348	F4	C2	H8	107.774
F4	C2	H9	107.784	F5	C3	H10	107.774
F5	C3	H11	107.784	H6	C1	H7	107.881
H8	C2	H9	109.550	H10	C3	H11	109.550

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

using model chemistry: QCISD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

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