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	hartrees
Energy at 0K	-306.175755
Energy at 298.15K	-306.186893
HF Energy	-306.175755
Nuclear repulsion energy	266.541590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3031	2997	0.00
2	A_g	2887	2854	0.00
3	A_g	1407	1391	0.00
4	A_g	1361	1346	0.00
5	A_g	1290	1275	0.00
6	A_g	1104	1091	0.00
7	A_g	1029	1018	0.00
8	A_g	857	847	0.00
9	A_g	430	426	0.00
10	A_g	425	420	0.00
11	A_u	3030	2995	60.56
12	A_u	2882	2849	45.98
13	A_u	1392	1376	5.74
14	A_u	1331	1316	13.07
15	A_u	1243	1229	57.99
16	A_u	1159	1145	155.55
17	A_u	1066	1054	1.76
18	A_u	889	879	14.02
19	A_u	255	252	1.10
20	B_g	3030	2995	0.00
21	B_g	2898	2864	0.00
22	B_g	1393	1377	0.00
23	B_g	1296	1282	0.00
24	B_g	1197	1183	0.00
25	B_g	1147	1134	0.00
26	B_g	840	830	0.00
27	B_g	464	459	0.00
28	B_u	3030	2995	20.04
29	B_u	2899	2865	148.65
30	B_u	1399	1383	26.42
31	B_u	1344	1329	3.99
32	B_u	1277	1263	9.35
33	B_u	1050	1038	10.54
34	B_u	899	889	74.29
35	B_u	585	578	12.02
36	B_u	272	269	18.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.756	1.146
C2	0.000	-0.756	-1.146
C3	0.000	0.756	1.146
C4	0.000	0.756	-1.146
O5	0.662	1.248	0.000
O6	-0.662	-1.248	0.000
H7	1.046	-1.111	1.159
H8	1.046	-1.111	-1.159
H9	-1.046	1.111	-1.159
H10	-1.046	1.111	1.159
H11	-0.523	-1.143	-2.034
H12	-0.523	-1.143	2.034
H13	0.523	1.143	-2.034
H14	0.523	1.143	2.034

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.2913	1.5125	2.7454	2.4018	1.4116	1.1045	2.5556	3.1449	2.1399	3.2453	1.1008	3.7401	2.1606
C2	2.2913		2.7454	1.5125	2.4018	1.4116	2.5556	1.1045	2.1399	3.1449	1.1008	3.2453	2.1606	3.7401
C3	1.5125	2.7454		2.2913	1.4116	2.4018	2.1399	3.1449	2.5556	1.1045	3.7401	2.1606	3.2453	1.1008
C4	2.7454	1.5125	2.2913		1.4116	2.4018	3.1449	2.1399	1.1045	2.5556	2.1606	3.7401	1.1008	3.2453
O5	2.4018	2.4018	1.4116	1.4116		2.8257	2.6561	2.6561	2.0686	2.0686	3.3551	3.3551	2.0414	2.0414
O6	1.4116	1.4116	2.4018	2.4018	2.8257		2.0686	2.0686	2.6561	2.6561	2.0414	2.0414	3.3551	3.3551
H7	1.1045	2.5556	2.1399	3.1449	2.6561	2.0686		2.3181	3.8319	3.0513	3.5577	1.7966	3.9428	2.4731
H8	2.5556	1.1045	3.1449	2.1399	2.6561	2.0686	2.3181		3.0513	3.8319	1.7966	3.5577	2.4731	3.9428
H9	3.1449	2.1399	2.5556	1.1045	2.0686	2.6561	3.8319	3.0513		2.3181	2.4731	3.9428	1.7966	3.5577
H10	2.1399	3.1449	1.1045	2.5556	2.0686	2.6561	3.0513	3.8319	2.3181		3.9428	2.4731	3.5577	1.7966
H11	3.2453	1.1008	3.7401	2.1606	3.3551	2.0414	3.5577	1.7966	2.4731	3.9428		4.0678	2.5132	4.7815
H12	1.1008	3.2453	2.1606	3.7401	3.3551	2.0414	1.7966	3.5577	3.9428	2.4731	4.0678		4.7815	2.5132
H13	3.7401	2.1606	3.2453	1.1008	2.0414	3.3551	3.9428	2.4731	1.7966	3.5577	2.5132	4.7815		4.0678
H14	2.1606	3.7401	1.1008	3.2453	2.0414	3.3551	2.4731	3.9428	3.5577	1.7966	4.7815	2.5132	4.0678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.399	C1	C3	H10	108.713
C1	C3	H14	110.551	C1	O6	C2	108.503
C2	C4	O5	110.399	C2	C4	H9	108.713
C2	C4	H13	110.551	C3	C1	O6	110.399
C3	C1	H7	108.713	C3	C1	H12	110.551
C3	O5	C4	108.503	C4	C2	O6	110.399
C4	C2	H8	108.713	C4	C2	H11	110.551
O5	C3	H10	110.002	O5	C3	H14	108.049
O5	C4	H9	110.002	O5	C4	H13	108.049
O6	C1	H7	110.002	O6	C1	H12	108.049
O6	C2	H8	110.002	O6	C2	H11	108.049
H7	C1	H12	109.114	H8	C2	H11	109.114
H9	C4	H13	109.114	H10	C3	H14	109.114

All results from a given calculation for C₄H₈O₂ (1,4-Dioxane)

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	-0.230
2	C	-0.230
3	C	-0.230
4	C	-0.230
5	O	-0.208
6	O	-0.208
7	H	0.155
8	H	0.155
9	H	0.155
10	H	0.155
11	H	0.178
12	H	0.178
13	H	0.178
14	H	0.178

	x	y	z
x	7.656	-0.267	0.000
y	-0.267	7.889	0.000
z	0.000	0.000	9.406

<r²>	137.919
(<r²>)^1/2	11.744

All results from a given calculation for C4H8O2 (1,4-Dioxane)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for C₄H₈O₂ (1,4-Dioxane)