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	hartrees
Energy at 0K	-314.715685
Energy at 298.15K
HF Energy	-314.246893
Nuclear repulsion energy	188.603476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3229	3009	23.94
2	A	3176	2959	4.25
3	A	3159	2943	2.91
4	A	1634	1522	1.23
5	A	1586	1477	6.60
6	A	1524	1420	8.08
7	A	1391	1296	0.53
8	A	1312	1223	0.49
9	A	1174	1094	9.86
10	A	1060	987	30.26
11	A	899	837	0.83
12	A	573	534	3.37
13	A	265	247	5.88
14	A	87	81	4.00
15	B	3232	3011	28.24
16	B	3205	2986	8.18
17	B	3168	2951	59.74
18	B	1643	1531	3.69
19	B	1499	1397	8.09
20	B	1477	1376	5.75
21	B	1308	1219	9.01
22	B	1183	1102	23.04
23	B	1126	1049	35.81
24	B	1022	952	16.41
25	B	824	768	1.81
26	B	401	373	9.09
27	B	213	198	16.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.044
C2	0.000	1.243	0.157
C3	0.000	-1.243	0.157
F4	1.162	1.183	-0.668
F5	-1.162	-1.183	-0.668
H6	0.888	-0.006	1.676
H7	-0.888	0.006	1.676
H8	-0.879	1.228	-0.483
H9	0.027	2.161	0.741
H10	0.879	-1.228	-0.483
H11	-0.027	-2.161	0.741

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5269	1.5269	2.3832	2.3832	1.0903	1.0903	2.1468	2.1823	2.1468	2.1823
C2	1.5269		2.4858	1.4260	2.8137	2.1581	2.1513	1.0868	1.0887	2.6988	3.4538
C3	1.5269	2.4858		2.8137	1.4260	2.1513	2.1581	2.6988	3.4538	1.0868	1.0887
F4	2.3832	1.4260	2.8137		3.3172	2.6427	3.3292	2.0495	2.0562	2.4346	3.8190
F5	2.3832	2.8137	1.4260	3.3172		3.3292	2.6427	2.4346	3.8190	2.0495	2.0562
H6	1.0903	2.1581	2.1513	2.6427	3.3292		1.7760	3.0502	2.5122	2.4807	2.5213
H7	1.0903	2.1513	2.1581	3.3292	2.6427	1.7760		2.4807	2.5213	3.0502	2.5122
H8	2.1468	1.0868	2.6988	2.0495	2.4346	3.0502	2.4807		1.7859	3.0192	3.7020
H9	2.1823	1.0887	3.4538	2.0562	3.8190	2.5122	2.5213	1.7859		3.7020	4.3224
H10	2.1468	2.6988	1.0868	2.4346	2.0495	2.4807	3.0502	3.0192	3.7020		1.7859
H11	2.1823	3.4538	1.0887	3.8190	2.0562	2.5213	2.5122	3.7020	4.3224	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.573	C1	C2	H8	109.284
C1	C2	H9	112.005	C1	C3	F5	107.573
C1	C3	H10	109.284	C1	C3	H11	112.005
C2	C1	C3	108.973	C2	C1	H6	109.966
C2	C1	H7	109.430	C3	C1	H6	109.430
C3	C1	H7	109.966	F4	C2	H8	108.551
F4	C2	H9	108.973	F5	C3	H10	108.551
F5	C3	H11	108.973	H6	C1	H7	109.065
H8	C2	H9	110.356	H10	C3	H11	110.356

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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