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	hartrees
Energy at 0K	-316.141015
Energy at 298.15K
HF Energy	-316.141015
Nuclear repulsion energy	190.007625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3026	2994	22.54	71.58	0.55	0.71
2	A	2974	2943	4.06	214.39	0.05	0.09
3	A	2969	2938	0.23	121.13	0.08	0.15
4	A	1433	1418	1.55	14.12	0.72	0.83
5	A	1374	1360	19.75	4.59	0.52	0.68
6	A	1370	1356	0.79	4.77	0.71	0.83
7	A	1264	1251	0.91	20.63	0.70	0.83
8	A	1201	1189	0.14	8.09	0.69	0.81
9	A	1100	1088	31.22	1.79	0.75	0.86
10	A	997	987	34.66	4.52	0.75	0.86
11	A	895	885	0.00	6.67	0.17	0.29
12	A	528	523	3.65	0.53	0.70	0.82
13	A	244	241	3.58	0.26	0.19	0.32
14	A	93	92	3.06	0.02	0.36	0.53
15	B	3032	3001	17.43	19.24	0.75	0.86
16	B	3017	2986	16.41	113.68	0.75	0.86
17	B	2966	2936	54.15	43.53	0.75	0.86
18	B	1437	1422	10.04	0.01	0.75	0.86
19	B	1359	1345	8.79	1.50	0.75	0.86
20	B	1327	1313	7.35	1.13	0.75	0.86
21	B	1216	1204	8.43	1.33	0.75	0.86
22	B	1100	1089	11.05	0.65	0.75	0.86
23	B	1084	1073	104.64	3.41	0.75	0.86
24	B	946	936	16.72	3.59	0.75	0.86
25	B	756	748	0.91	0.26	0.75	0.86
26	B	411	407	6.87	0.44	0.75	0.86
27	B	188	186	11.12	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.982
C2	0.000	1.233	0.133
C3	0.000	-1.233	0.133
F4	1.164	1.261	-0.617
F5	-1.164	-1.261	-0.617
H6	0.891	-0.001	1.634
H7	-0.891	0.001	1.634
H8	-0.856	1.209	-0.564
H9	-0.043	2.153	0.741
H10	0.856	-1.209	-0.564
H11	0.043	-2.153	0.741

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.4973	1.4973	2.3460	2.3460	1.1041	1.1041	2.1417	2.1666	2.1417	2.1666
C2	1.4973		2.4662	1.3848	2.8528	2.1381	2.1367	1.1042	1.1030	2.6802	3.4401
C3	1.4973	2.4662		2.8528	1.3848	2.1367	2.1381	2.6802	3.4401	1.1042	1.1030
F4	2.3460	1.3848	2.8528		3.4319	2.5958	3.2983	2.0206	2.0235	2.4901	3.8412
F5	2.3460	2.8528	1.3848	3.4319		3.2983	2.5958	2.4901	3.8412	2.0206	2.0235
H6	1.1041	2.1381	2.1367	2.5958	3.2983		1.7819	3.0579	2.5119	2.5091	2.4793
H7	1.1041	2.1367	2.1381	3.2983	2.5958	1.7819		2.5091	2.4793	3.0579	2.5119
H8	2.1417	1.1042	2.6802	2.0206	2.4901	3.0579	2.5091		1.8040	2.9627	3.7166
H9	2.1666	1.1030	3.4401	2.0235	3.8412	2.5119	2.4793	1.8040		3.7166	4.3061
H10	2.1417	2.6802	1.1042	2.4901	2.0206	2.5091	3.0579	2.9627	3.7166		1.8040
H11	2.1666	3.4401	1.1030	3.8412	2.0235	2.4793	2.5119	3.7166	4.3061	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.910	C1	C2	H8	109.908
C1	C2	H9	111.965	C1	C3	F5	108.910
C1	C3	H10	109.908	C1	C3	H11	111.965
C2	C1	C3	110.883	C2	C1	H6	109.626
C2	C1	H7	109.519	C3	C1	H6	109.519
C3	C1	H7	109.626	F4	C2	H8	108.015
F4	C2	H9	108.315	F5	C3	H10	108.015
F5	C3	H11	108.315	H6	C1	H7	107.605
H8	C2	H9	109.631	H10	C3	H11	109.631

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	-0.411
2	C	-0.026
3	C	-0.026
4	F	-0.239
5	F	-0.239
6	H	0.166
7	H	0.166
8	H	0.154
9	H	0.150
10	H	0.154
11	H	0.150

	x	y	z
x	5.186	-0.087	0.000
y	-0.087	5.904	0.000
z	0.000	0.000	5.295

<r²>	125.314
(<r²>)^1/2	11.194

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

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

States and conformations

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