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	hartrees
Energy at 0K	-233.535027
Energy at 298.15K	-233.546254
HF Energy	-233.535027
Nuclear repulsion energy	198.440587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3002	34.56
2	A	3168	3000	18.46
3	A	3167	2999	3.72
4	A	3161	2993	63.13
5	A	3153	2986	4.53
6	A	3109	2944	63.73
7	A	3104	2939	16.38
8	A	3084	2921	9.42
9	A	3079	2916	6.13
10	A	3051	2889	38.25
11	A	1549	1467	11.95
12	A	1545	1463	1.13
13	A	1540	1458	4.63
14	A	1528	1447	5.10
15	A	1516	1436	0.33
16	A	1513	1433	1.25
17	A	1498	1419	0.47
18	A	1444	1368	24.16
19	A	1426	1350	22.56
20	A	1418	1343	0.46
21	A	1374	1302	4.22
22	A	1269	1202	132.86
23	A	1238	1172	36.74
24	A	1197	1134	4.33
25	A	1194	1131	3.05
26	A	1162	1100	14.92
27	A	1106	1047	21.65
28	A	953	902	13.77
29	A	947	897	0.08
30	A	925	876	0.49
31	A	816	772	6.41
32	A	555	526	2.26
33	A	425	403	9.79
34	A	373	353	1.61
35	A	330	313	0.51
36	A	292	277	1.38
37	A	258	244	1.05
38	A	178	168	1.45
39	A	56	53	2.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.756	-0.001	-0.404
H2	-1.630	-0.890	-1.019
H3	-2.772	-0.002	-0.008
H4	-1.633	0.890	-1.017
O5	-0.873	-0.000	0.718
C6	1.028	-1.257	-0.256
H7	2.119	-1.238	-0.333
H8	0.730	-2.148	0.297
H9	0.616	-1.300	-1.259
C10	1.027	1.258	-0.256
H11	2.117	1.241	-0.332
H12	0.613	1.301	-1.260
H13	0.722	2.149	0.297
C14	0.550	-0.001	0.485
H15	1.006	0.002	1.477

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0885	1.0902	1.0879	1.4281	3.0583	4.0689	3.3597	2.8372	3.0587	4.0678	2.8359	3.3555	2.4714	3.3424
H2	1.0885		1.7648	1.7794	2.0928	2.7894	3.8268	2.9807	2.2958	3.5008	4.3643	3.1447	4.0622	2.7930	3.7381
H3	1.0902	1.7648		1.7641	2.0334	4.0096	5.0553	4.1189	3.8380	4.0108	5.0548	3.8377	4.1154	3.3581	4.0600
H4	1.0879	1.7794	1.7641		2.0928	3.5023	4.3671	4.0669	3.1485	2.7916	3.8278	2.2965	2.9769	2.7949	3.7383
O5	1.4281	2.0928	2.0334	2.0928		2.4777	3.4038	2.7129	2.7952	2.4782	3.4027	2.7951	2.7100	1.4412	2.0268
C6	3.0583	2.7894	4.0096	3.5023	2.4777		1.0937	1.0905	1.0849	2.5144	2.7254	2.7786	3.4641	1.5346	2.1415
H7	4.0689	3.8268	5.0553	4.3671	3.4038	1.0937		1.7757	1.7661	2.7252	2.4790	3.0940	3.7178	2.1594	2.4596
H8	3.3597	2.9807	4.1189	4.0669	2.7129	1.0905	1.7757		1.7752	3.4633	3.7152	3.7859	4.2977	2.1633	2.4679
H9	2.8372	2.2958	3.8380	3.1485	2.7952	1.0849	1.7661	1.7752		2.7784	3.0933	2.6014	3.7858	2.1756	3.0546
C10	3.0587	3.5008	4.0108	2.7916	2.4782	2.5144	2.7252	3.4633	2.7784		1.0920	1.0869	1.0924	1.5364	2.1401
H11	4.0678	4.3643	5.0548	3.8278	3.4027	2.7254	2.4790	3.7152	3.0933	1.0920		1.7676	1.7788	2.1596	2.4575
H12	2.8359	3.1447	3.8377	2.2965	2.7951	2.7786	3.0940	3.7859	2.6014	1.0869	1.7676		1.7761	2.1775	3.0548
H13	3.3555	4.0622	4.1154	2.9769	2.7100	3.4641	3.7178	4.2977	3.7858	1.0924	1.7788	1.7761		2.1652	2.4670
C14	2.4714	2.7930	3.3581	2.7949	1.4412	1.5346	2.1594	2.1633	2.1756	1.5364	2.1596	2.1775	2.1652		1.0922
H15	3.3424	3.7381	4.0600	3.7383	2.0268	2.1415	2.4596	2.4679	3.0546	2.1401	2.4575	3.0548	2.4670	1.0922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	118.929	H2	C1	H3	108.196
H2	C1	H4	109.686	H2	C1	O5	111.821
H3	C1	H4	108.175	H3	C1	O5	106.933
H4	C1	O5	111.860	O5	C14	C6	112.699
O5	C14	C10	112.627	O5	C14	H15	105.431
C6	C14	C10	109.922	C6	C14	H15	108.039
H7	C6	H8	108.768	H7	C6	H9	108.315
H7	C6	C14	109.340	H8	C6	H9	109.379
H8	C6	C14	109.838	H9	C6	C14	111.152
C10	C14	H15	107.811	H11	C10	H12	108.430
H11	C10	H13	109.049	H11	C10	C14	109.339
H12	C10	H13	109.174	H12	C10	C14	111.054
H13	C10	C14	109.757

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.226
2	H	0.141
3	H	0.175
4	H	0.143
5	O	-0.496
6	C	-0.496
7	H	0.160
8	H	0.175
9	H	0.154
10	C	-0.501
11	H	0.162
12	H	0.155
13	H	0.174
14	C	0.124
15	H	0.157

	x	y	z	Total
	-0.586	0.144	1.176	1.321
CHELPG
AIM
ESP

	x	y	z
x	7.613	-0.001	0.233
y	-0.001	6.784	-0.010
z	0.233	-0.010	6.257

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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