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	hartrees
Energy at 0K	-233.506617
Energy at 298.15K	-233.517692
Nuclear repulsion energy	195.837710

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3034	28.31
2	A	3155	3022	26.26
3	A	3153	3019	17.62
4	A	3142	3009	77.43
5	A	3133	3000	0.05
6	A	3092	2961	71.20
7	A	3084	2954	10.98
8	A	3058	2929	17.43
9	A	3053	2924	13.00
10	A	3024	2896	45.78
11	A	1552	1487	20.18
12	A	1548	1482	3.45
13	A	1540	1475	2.35
14	A	1537	1472	9.42
15	A	1527	1462	0.06
16	A	1522	1458	5.46
17	A	1494	1431	0.14
18	A	1452	1391	13.60
19	A	1437	1376	18.64
20	A	1398	1339	5.36
21	A	1393	1334	9.80
22	A	1235	1182	2.66
23	A	1203	1152	83.55
24	A	1195	1144	30.16
25	A	1171	1122	21.08
26	A	1165	1115	1.39
27	A	1041	997	48.09
28	A	971	930	0.49
29	A	948	908	0.61
30	A	909	871	6.14
31	A	768	736	10.76
32	A	551	528	3.26
33	A	406	389	12.86
34	A	369	353	1.82
35	A	295	283	1.14
36	A	244	234	1.57
37	A	244	234	0.11
38	A	177	170	2.54
39	A	57	55	4.98

Atom	x (Å)	y (Å)	z (Å)
C1	1.746	-0.000	0.411
H2	1.617	-0.893	1.038
H3	2.758	-0.002	0.002
H4	1.618	0.894	1.035
O5	0.869	-0.001	-0.735
C6	-1.018	-1.273	0.252
H7	-2.112	-1.333	0.269
H8	-0.633	-2.157	-0.267
H9	-0.671	-1.301	1.291
C10	-1.016	1.274	0.251
H11	-2.110	1.336	0.268
H12	-0.670	1.301	1.291
H13	-0.629	2.157	-0.268
C14	-0.569	0.000	-0.465
H15	-0.984	0.000	-1.478

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	H11	H12	H13	C14	H15
C1		1.0980	1.0913	1.0980	1.4429	3.0469	4.0839	3.2817	2.8821	3.0460	4.0835	2.8819	3.2797	2.4747	3.3205
H2	1.0980		1.7798	1.7866	2.1204	2.7754	3.8324	2.8917	2.3374	3.4994	4.4101	3.1791	4.0061	2.7982	3.7275
H3	1.0913	1.7798		1.7798	2.0273	3.9915	5.0553	4.0265	3.8863	3.9914	5.0552	3.8869	4.0255	3.3590	4.0244
H4	1.0980	1.7866	1.7798		2.1204	3.5014	4.4114	4.0090	3.1816	2.7747	3.8323	2.3383	2.8888	2.7986	3.7273
O5	1.4429	2.1204	2.0273	2.1204		2.4804	3.4159	2.6687	2.8577	2.4805	3.4158	2.8583	2.6685	1.4630	1.9972
C6	3.0469	2.7754	3.9915	3.5014	2.4804		1.0960	1.0945	1.0963	2.5478	2.8287	2.7983	3.4913	1.5286	2.1487
H7	4.0839	3.8324	5.0553	4.4114	3.4159	1.0960		1.7761	1.7673	2.8282	2.6685	3.1722	3.8295	2.1671	2.4702
H8	3.2817	2.8917	4.0265	4.0090	2.6687	1.0945	1.7761		1.7787	3.4913	3.8297	3.7933	4.3139	2.1668	2.4986
H9	2.8821	2.3374	3.8863	3.1816	2.8577	1.0963	1.7673	1.7787		2.7988	3.1736	2.6022	3.7934	2.1878	3.0763
C10	3.0460	3.4994	3.9914	2.7747	2.4805	2.5478	2.8282	3.4913	2.7988		1.0960	1.0963	1.0945	1.5285	2.1487
H11	4.0835	4.4101	5.0552	3.8323	3.4158	2.8287	2.6685	3.8297	3.1736	1.0960		1.7673	1.7760	2.1670	2.4698
H12	2.8819	3.1791	3.8869	2.3383	2.8583	2.7983	3.1722	3.7933	2.6022	1.0963	1.7673		1.7787	2.1878	3.0763
H13	3.2797	4.0061	4.0255	2.8888	2.6685	3.4913	3.8295	4.3139	3.7934	1.0945	1.7760	1.7787		2.1668	2.4990
C14	2.4747	2.7982	3.3590	2.7986	1.4630	1.5286	2.1671	2.1668	2.1878	1.5285	2.1670	2.1878	2.1668		1.0958
H15	3.3205	3.7275	4.0244	3.7273	1.9972	2.1487	2.4702	2.4986	3.0763	2.1487	2.4698	3.0763	2.4990	1.0958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C14	116.771	H2	C1	H3	108.773
H2	C1	H4	108.893	H2	C1	O5	112.420
H3	C1	H4	108.774	H3	C1	O5	105.410
H4	C1	O5	112.416	O5	C14	C6	111.999
O5	C14	C10	112.006	O5	C14	H15	101.647
C6	C14	C10	112.902	C6	C14	H15	108.799
H7	C6	H8	108.349	H7	C6	H9	107.437
H7	C6	C14	110.224	H8	C6	H9	108.559
H8	C6	C14	110.298	H9	C6	C14	111.861
C10	C14	H15	108.802	H11	C10	H12	107.436
H11	C10	H13	108.341	H11	C10	C14	110.224
H12	C10	H13	108.565	H12	C10	C14	111.863
H13	C10	C14	110.298

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

using model chemistry: B3PW91/6-31G

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	0.148
3	H	0.182
4	H	0.148
5	O	-0.523
6	C	-0.487
7	H	0.160
8	H	0.177
9	H	0.157
10	C	-0.487
11	H	0.160
12	H	0.157
13	H	0.177
14	C	0.078
15	H	0.177

	x	y	z	Total
	-0.742	0.002	1.537	1.707
CHELPG
AIM
ESP

<r²>	136.107
(<r²>)^1/2	11.666

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

using model chemistry: B3PW91/6-31G

States and conformations

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