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	hartrees
Energy at 0K	-306.693203
Energy at 298.15K	-306.704512
HF Energy	-305.822264
Nuclear repulsion energy	264.259647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3171	2991	0.00
2	A_g	3065	2890	0.00
3	A_g	1557	1468	0.00
4	A_g	1467	1383	0.00
5	A_g	1360	1283	0.00
6	A_g	1184	1117	0.00
7	A_g	1061	1001	0.00
8	A_g	873	823	0.00
9	A_g	449	424	0.00
10	A_g	431	407	0.00
11	A_u	3170	2990	66.82
12	A_u	3062	2887	43.37
13	A_u	1542	1454	0.16
14	A_u	1431	1350	28.88
15	A_u	1313	1238	35.53
16	A_u	1194	1126	148.55
17	A_u	1142	1077	11.08
18	A_u	928	875	23.36
19	A_u	264	249	1.56
20	B_g	3172	2992	0.00
21	B_g	3069	2894	0.00
22	B_g	1540	1452	0.00
23	B_g	1392	1313	0.00
24	B_g	1264	1192	0.00
25	B_g	1178	1111	0.00
26	B_g	893	842	0.00
27	B_g	489	461	0.00
28	B_u	3173	2992	51.79
29	B_u	3071	2896	121.11
30	B_u	1552	1463	10.34
31	B_u	1449	1366	3.31
32	B_u	1345	1268	8.07
33	B_u	1089	1027	10.20
34	B_u	913	861	62.92
35	B_u	624	588	14.94
36	B_u	285	269	22.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.759	1.165
C2	0.000	0.759	-1.165
C3	0.000	-0.759	1.165
C4	0.000	-0.759	-1.165
O5	-0.656	-1.252	0.000
O6	0.656	1.252	0.000
H7	-1.037	1.127	1.204
H8	-1.037	1.127	-1.204
H9	1.037	-1.127	-1.204
H10	1.037	-1.127	1.204
H11	0.553	1.155	-2.021
H12	0.553	1.155	2.021
H13	-0.553	-1.155	-2.021
H14	-0.553	-1.155	2.021

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12	H13	H14
C1		2.3296	1.5172	2.7800	2.4144	1.4248	1.1011	2.6120	3.2001	2.1519	3.2579	1.0937	3.7574	2.1680
C2	2.3296		2.7800	1.5172	2.4144	1.4248	2.6120	1.1011	2.1519	3.2001	1.0937	3.2579	2.1680	3.7574
C3	1.5172	2.7800		2.3296	1.4248	2.4144	2.1519	3.2001	2.6120	1.1011	3.7574	2.1680	3.2579	1.0937
C4	2.7800	1.5172	2.3296		1.4248	2.4144	3.2001	2.1519	1.1011	2.6120	2.1680	3.7574	1.0937	3.2579
O5	2.4144	2.4144	1.4248	1.4248		2.8266	2.6931	2.6931	2.0811	2.0811	3.3673	3.3673	2.0263	2.0263
O6	1.4248	1.4248	2.4144	2.4144	2.8266		2.0811	2.0811	2.6931	2.6931	2.0263	2.0263	3.3673	3.3673
H7	1.1011	2.6120	2.1519	3.2001	2.6931	2.0811		2.4081	3.8958	3.0624	3.5960	1.7878	3.9802	2.4712
H8	2.6120	1.1011	3.2001	2.1519	2.6931	2.0811	2.4081		3.0624	3.8958	1.7878	3.5960	2.4712	3.9802
H9	3.2001	2.1519	2.6120	1.1011	2.0811	2.6931	3.8958	3.0624		2.4081	2.4712	3.9802	1.7878	3.5960
H10	2.1519	3.2001	1.1011	2.6120	2.0811	2.6931	3.0624	3.8958	2.4081		3.9802	2.4712	3.5960	1.7878
H11	3.2579	1.0937	3.7574	2.1680	3.3673	2.0263	3.5960	1.7878	2.4712	3.9802		4.0427	2.5605	4.7853
H12	1.0937	3.2579	2.1680	3.7574	3.3673	2.0263	1.7878	3.5960	3.9802	2.4712	4.0427		4.7853	2.5605
H13	3.7574	2.1680	3.2579	1.0937	2.0263	3.3673	3.9802	2.4712	1.7878	3.5960	2.5605	4.7853		4.0427
H14	2.1680	3.7574	1.0937	3.2579	2.0263	3.3673	2.4712	3.9802	3.5960	1.7878	4.7853	2.5605	4.0427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	O5	110.261	C1	C3	H10	109.523
C1	C3	H14	111.239	C1	O6	C2	109.668
C2	C4	O5	110.261	C2	C4	H9	109.523
C2	C4	H13	111.239	C3	C1	O6	110.261
C3	C1	H7	109.523	C3	C1	H12	111.239
C3	O5	C4	109.668	C4	C2	O6	110.261
C4	C2	H8	109.523	C4	C2	H11	111.239
O5	C3	H10	110.296	O5	C3	H14	106.390
O5	C4	H9	110.296	O5	C4	H13	106.390
O6	C1	H7	110.296	O6	C1	H12	106.390
O6	C2	H8	110.296	O6	C2	H11	106.390
H7	C1	H12	109.087	H8	C2	H11	109.087
H9	C4	H13	109.087	H10	C3	H14	109.087

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

using model chemistry: MP2/6-31G*

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 C4H8O2 (1,4-Dioxane)

using model chemistry: MP2/6-31G*

States and conformations

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