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	hartrees
Energy at 0K	-316.982409
Energy at 298.15K
HF Energy	-316.087946
Nuclear repulsion energy	187.815205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3018	29.11
2	A	3103	2964	4.42
3	A	3076	2939	8.05
4	A	1548	1479	0.56
5	A	1487	1421	15.16
6	A	1478	1411	4.16
7	A	1338	1278	0.51
8	A	1273	1216	1.04
9	A	1149	1098	21.70
10	A	1026	980	45.96
11	A	887	847	0.32
12	A	550	526	4.33
13	A	249	238	3.98
14	A	84	80	4.44
15	B	3159	3018	27.70
16	B	3127	2987	25.21
17	B	3099	2960	55.84
18	B	1550	1481	2.57
19	B	1456	1391	16.01
20	B	1426	1362	4.52
21	B	1294	1236	5.78
22	B	1149	1097	12.88
23	B	1111	1061	99.58
24	B	981	937	30.33
25	B	795	759	4.09
26	B	423	404	8.69
27	B	193	185	10.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.978
C2	0.000	1.264	0.141
C3	0.000	-1.264	0.141
F4	1.165	1.316	-0.626
F5	-1.165	-1.316	-0.626
H6	0.885	-0.008	1.622
H7	-0.885	0.008	1.622
H8	-0.847	1.285	-0.546
H9	-0.017	2.153	0.773
H10	0.847	-1.285	-0.546
H11	0.017	-2.153	0.773

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5158	1.5158	2.3795	2.3795	1.0938	1.0938	2.1661	2.1632	2.1661	2.1632
C2	1.5158		2.5270	1.3959	2.9324	2.1426	2.1334	1.0906	1.0912	2.7721	3.4748
C3	1.5158	2.5270		2.9324	1.3959	2.1334	2.1426	2.7721	3.4748	1.0906	1.0912
F4	2.3795	1.3959	2.9324		3.5153	2.6232	3.3111	2.0139	2.0136	2.6216	3.9125
F5	2.3795	2.9324	1.3959	3.5153		3.3111	2.6232	2.6216	3.9125	2.0139	2.0136
H6	1.0938	2.1426	2.1334	2.6232	3.3111		1.7693	3.0606	2.4910	2.5162	2.4651
H7	1.0938	2.1334	2.1426	3.3111	2.6232	1.7693		2.5162	2.4651	3.0606	2.4910
H8	2.1661	1.0906	2.7721	2.0139	2.6216	3.0606	2.5162		1.7832	3.0780	3.7826
H9	2.1632	1.0912	3.4748	2.0136	3.9125	2.4910	2.4651	1.7832		3.7826	4.3068
H10	2.1661	2.7721	1.0906	2.6216	2.0139	2.5162	3.0606	3.0780	3.7826		1.7832
H11	2.1632	3.4748	1.0912	3.9125	2.0136	2.4651	2.4910	3.7826	4.3068	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.552	C1	C2	H8	111.376
C1	C2	H9	111.107	C1	C3	F5	109.552
C1	C3	H10	111.376	C1	C3	H11	111.107
C2	C1	C3	112.937	C2	C1	H6	109.317
C2	C1	H7	108.599	C3	C1	H6	108.599
C3	C1	H7	109.317	F4	C2	H8	107.545
F4	C2	H9	107.486	F5	C3	H10	107.545
F5	C3	H11	107.486	H6	C1	H7	107.954
H8	C2	H9	109.633	H10	C3	H11	109.633

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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