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	hartrees
Energy at 0K	-233.032841
Energy at 298.15K	-233.044081
HF Energy	-232.218371
Nuclear repulsion energy	198.379025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3025	28.56
2	A	3184	3018	19.99
3	A	3182	3016	12.21
4	A	3177	3011	63.10
5	A	3170	3005	0.57
6	A	3129	2966	55.87
7	A	3120	2958	13.11
8	A	3087	2926	11.78
9	A	3082	2922	11.03
10	A	3058	2898	42.62
11	A	1545	1465	12.19
12	A	1536	1456	0.92
13	A	1527	1447	2.33
14	A	1522	1443	6.78
15	A	1506	1428	1.21
16	A	1504	1426	1.89
17	A	1503	1425	0.43
18	A	1443	1367	21.38
19	A	1421	1347	0.02
20	A	1421	1347	21.51
21	A	1382	1310	2.35
22	A	1259	1193	19.92
23	A	1222	1158	106.15
24	A	1207	1144	2.46
25	A	1207	1144	9.29
26	A	1165	1104	15.97
27	A	1081	1025	37.70
28	A	952	903	0.05
29	A	941	892	15.49
30	A	939	890	0.01
31	A	801	759	9.60
32	A	557	528	1.52
33	A	426	404	10.30
34	A	376	356	0.91
35	A	320	303	0.69
36	A	276	262	2.11
37	A	274	259	0.09
38	A	184	175	1.65
39	A	37	35	2.85

Atom	x (Å)	y (Å)	z (Å)
C1	-1.751	-0.001	-0.408
H2	-1.621	-0.889	-1.021
H3	-2.767	-0.002	-0.017
H4	-1.624	0.888	-1.019
O5	-0.875	-0.000	0.722
C6	1.026	-1.255	-0.256
H7	2.115	-1.235	-0.332
H8	0.730	-2.145	0.298
H9	0.614	-1.300	-1.256
C10	1.026	1.257	-0.255
H11	2.113	1.238	-0.331
H12	0.612	1.301	-1.257
H13	0.723	2.146	0.298
C14	0.548	-0.001	0.483
H15	1.006	0.002	1.473

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0869	1.0883	1.0863	1.4303	3.0517	4.0599	3.3548	2.8294	3.0522	4.0591	2.8283	3.3507	2.4664	3.3373
H2	1.0869		1.7626	1.7771	2.0936	2.7794	3.8147	2.9735	2.2846	3.4915	4.3520	3.1356	4.0545	2.7847	3.7292
H3	1.0883	1.7626		1.7619	2.0323	4.0023	5.0459	4.1137	3.8281	4.0036	5.0456	3.8279	4.1104	3.3534	4.0567
H4	1.0863	1.7771	1.7619		2.0936	3.4930	4.3547	4.0591	3.1392	2.7817	3.8159	2.2855	2.9699	2.7866	3.7295
O5	1.4303	2.0936	2.0323	2.0936		2.4788	3.4026	2.7121	2.7967	2.4793	3.4017	2.7966	2.7093	1.4430	2.0244
C6	3.0517	2.7794	4.0023	3.4930	2.4788		1.0921	1.0889	1.0832	2.5120	2.7211	2.7766	3.4599	1.5325	2.1373
H7	4.0599	3.8147	5.0459	4.3547	3.4026	1.0921		1.7732	1.7641	2.7209	2.4734	3.0902	3.7114	2.1553	2.4537
H8	3.3548	2.9735	4.1137	4.0591	2.7121	1.0889	1.7732		1.7727	3.4592	3.7089	3.7825	4.2918	2.1603	2.4630
H9	2.8294	2.2846	3.8281	3.1392	2.7967	1.0832	1.7641	1.7727		2.7764	3.0896	2.6009	3.7823	2.1725	3.0491
C10	3.0522	3.4915	4.0036	2.7817	2.4793	2.5120	2.7209	3.4592	2.7764		1.0904	1.0852	1.0907	1.5343	2.1360
H11	4.0591	4.3520	5.0456	3.8159	3.4017	2.7211	2.4734	3.7089	3.0896	1.0904		1.7655	1.7763	2.1556	2.4517
H12	2.8283	3.1356	3.8279	2.2855	2.7966	2.7766	3.0902	3.7825	2.6009	1.0852	1.7655		1.7735	2.1743	3.0492
H13	3.3507	4.0545	4.1104	2.9699	2.7093	3.4599	3.7114	4.2918	3.7823	1.0907	1.7763	1.7735		2.1622	2.4622
C14	2.4664	2.7847	3.3534	2.7866	1.4430	1.5325	2.1553	2.1603	2.1725	1.5343	2.1556	2.1743	2.1622		1.0901
H15	3.3373	3.7292	4.0567	3.7295	2.0244	2.1373	2.4537	2.4630	3.0491	2.1360	2.4517	3.0492	2.4622	1.0901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	118.271	H2	C1	H3	108.247
H2	C1	H4	109.709	H2	C1	O5	111.826
H3	C1	H4	108.226	H3	C1	O5	106.800
H4	C1	O5	111.863	O5	C14	C6	112.797
O5	C14	C10	112.731	O5	C14	H15	105.257
C6	C14	C10	109.986	C6	C14	H15	107.976
H7	C6	H8	108.780	H7	C6	H9	108.375
H7	C6	C14	109.258	H8	C6	H9	109.400
H8	C6	C14	109.837	H9	C6	C14	111.145
C10	C14	H15	107.755	H11	C10	H12	108.489
H11	C10	H13	109.057	H11	C10	C14	109.257
H12	C10	H13	109.196	H12	C10	C14	111.049
H13	C10	C14	109.757

All results from a given calculation for C₄H₁₀O (Propane, 2-methoxy-)

using model chemistry: MP2/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 C4H10O (Propane, 2-methoxy-)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₄H₁₀O (Propane, 2-methoxy-)