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	hartrees
Energy at 0K	-233.434630
Energy at 298.15K	-233.426682
Nuclear repulsion energy	198.779225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3109	54.32
2	A	3283	3093	62.27
3	A	3279	3089	21.44
4	A	3276	3086	116.53
5	A	3265	3077	12.16
6	A	3247	3060	81.42
7	A	3238	3051	4.60
8	A	3213	3027	26.24
9	A	3204	3019	14.72
10	A	3196	3011	35.93
11	A	1666	1570	11.19
12	A	1661	1565	0.07
13	A	1658	1562	2.06
14	A	1645	1550	3.07
15	A	1636	1541	0.03
16	A	1630	1536	0.32
17	A	1629	1535	3.46
18	A	1572	1482	20.38
19	A	1557	1467	15.58
20	A	1540	1451	4.21
21	A	1503	1416	5.76
22	A	1370	1291	126.58
23	A	1335	1258	81.61
24	A	1295	1220	5.73
25	A	1293	1218	5.51
26	A	1236	1164	18.63
27	A	1179	1110	43.91
28	A	1019	960	0.21
29	A	1008	950	20.39
30	A	1003	945	0.00
31	A	845	796	8.12
32	A	593	559	2.38
33	A	448	422	11.53
34	A	392	370	1.10
35	A	326	307	0.98
36	A	281	265	1.80
37	A	280	264	0.02
38	A	191	180	2.86
39	A	52	49	3.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.702	-0.000	0.412
H2	1.563	-0.891	1.036
H3	2.723	-0.002	0.028
H4	1.565	0.892	1.034
O5	0.863	-0.001	-0.731
C6	-1.001	-1.265	0.249
H7	-2.093	-1.323	0.248
H8	-0.605	-2.147	-0.260
H9	-0.670	-1.284	1.291
C10	-0.999	1.266	0.249
H11	-2.091	1.326	0.247
H12	-0.669	1.284	1.291
H13	-0.602	2.148	-0.261
C14	-0.545	0.000	-0.466
H15	-0.974	0.000	-1.473

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0963	1.0906	1.0963	1.4181	2.9886	4.0225	3.2223	2.8368	2.9879	4.0220	2.8362	3.2210	2.4124	3.2737
H2	1.0963		1.7756	1.7828	2.0987	2.7076	3.7648	2.8209	2.2816	3.4403	4.3460	3.1267	3.9496	2.7370	3.6779
H3	1.0906	1.7756		1.7756	2.0089	3.9383	4.9987	3.9699	3.8408	3.9383	4.9988	3.8410	3.9697	3.3049	3.9903
H4	1.0963	1.7828	1.7756		2.0987	3.4424	4.3478	3.9520	3.1295	2.7072	3.7647	2.2822	2.8189	2.7375	3.6778
O5	1.4181	2.0987	2.0089	2.0987		2.4561	3.3829	2.6426	2.8433	2.4561	3.3830	2.8435	2.6426	1.4327	1.9814
C6	2.9886	2.7076	3.9383	3.4424	2.4561		1.0939	1.0927	1.0932	2.5312	2.8110	2.7739	3.4735	1.5229	2.1372
H7	4.0225	3.7648	4.9987	4.3478	3.3829	1.0939		1.7752	1.7648	2.8109	2.6489	3.1489	3.8115	2.1579	2.4422
H8	3.2223	2.8209	3.9699	3.9520	2.6426	1.0927	1.7752		1.7764	3.4734	3.8115	3.7662	4.2948	2.1580	2.4939
H9	2.8368	2.2816	3.8408	3.1295	2.8433	1.0932	1.7648	1.7764		2.7741	3.1493	2.5680	3.7663	2.1792	3.0628
C10	2.9879	3.4403	3.9383	2.7072	2.4561	2.5312	2.8109	3.4734	2.7741		1.0939	1.0932	1.0927	1.5229	2.1372
H11	4.0220	4.3460	4.9988	3.7647	3.3830	2.8110	2.6489	3.8115	3.1493	1.0939		1.7648	1.7752	2.1578	2.4421
H12	2.8362	3.1267	3.8410	2.2822	2.8435	2.7739	3.1489	3.7662	2.5680	1.0932	1.7648		1.7764	2.1792	3.0628
H13	3.2210	3.9496	3.9697	2.8189	2.6426	3.4735	3.8115	4.2948	3.7663	1.0927	1.7752	1.7764		2.1580	2.4940
C14	2.4124	2.7370	3.3049	2.7375	1.4327	1.5229	2.1579	2.1580	2.1792	1.5229	2.1578	2.1792	2.1580		1.0952
H15	3.2737	3.6779	3.9903	3.6778	1.9814	2.1372	2.4422	2.4939	3.0628	2.1372	2.4421	3.0628	2.4940	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	118.542	H2	C1	H3	108.309
H2	C1	H4	108.630	H2	C1	O5	112.382
H3	C1	H4	108.310	H3	C1	O5	106.666
H4	C1	O5	112.380	O5	C14	C6	112.529
O5	C14	C10	112.539	O5	C14	H15	103.150
C6	C14	C10	112.344	C6	C14	H15	107.820
H7	C6	H8	108.285	H7	C6	H9	107.467
H7	C6	C14	110.000	H8	C6	H9	108.427
H8	C6	C14	110.289	H9	C6	C14	112.249
C10	C14	H15	107.820	H11	C10	H12	107.468
H11	C10	H13	108.282	H11	C10	C14	109.999
H12	C10	H13	108.429	H12	C10	C14	112.249
H13	C10	C14	110.291

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

using model chemistry: G3

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: G3

States and conformations

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