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	hartrees
Energy at 0K	-233.675189
Energy at 298.15K	-233.686440
HF Energy	-233.675189
Nuclear repulsion energy	190.578383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2999	34.28
2	A₁	3058	2923	8.72
3	A₁	2980	2849	113.60
4	A₁	1538	1470	3.73
5	A₁	1500	1434	3.82
6	A₁	1471	1406	4.19
7	A₁	1410	1348	1.58
8	A₁	1197	1144	24.69
9	A₁	1079	1032	12.31
10	A₁	876	838	6.34
11	A₁	450	430	0.08
12	A₁	202	193	0.59
13	A₂	3137	2999	0.00
14	A₂	3004	2872	0.00
15	A₂	1491	1426	0.00
16	A₂	1313	1255	0.00
17	A₂	1176	1124	0.00
18	A₂	816	780	0.00
19	A₂	246	235	0.00
20	A₂	63	60	0.00
21	B₁	3137	2999	54.86
22	B₁	2999	2867	119.02
23	B₁	1492	1426	13.00
24	B₁	1325	1266	5.47
25	B₁	1205	1152	11.38
26	B₁	832	796	0.67
27	B₁	248	237	1.55
28	B₁	125	119	3.96
29	B₂	3137	2999	18.05
30	B₂	3057	2923	29.08
31	B₂	2970	2840	9.62
32	B₂	1516	1449	3.27
33	B₂	1497	1431	1.84
34	B₂	1428	1365	51.01
35	B₂	1396	1335	15.92
36	B₂	1197	1145	218.77
37	B₂	1110	1061	3.92
38	B₂	958	916	3.35
39	B₂	442	422	2.96

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.325
C2	0.000	1.191	-0.522
C3	0.000	-1.191	-0.522
C4	0.000	2.409	0.384
C5	0.000	-2.409	0.384
H6	0.869	1.177	-1.132
H7	-0.869	1.177	-1.132
H8	0.869	-1.177	-1.132
H9	-0.869	-1.177	-1.132
H10	0.000	3.291	-0.212
H11	0.000	-3.291	-0.212
H12	-0.868	2.397	1.004
H13	0.868	2.397	1.004
H14	0.868	-2.397	1.004
H15	-0.868	-2.397	1.004

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4617	1.4617	2.4102	2.4102	2.0646	2.0646	2.0646	2.0646	3.3345	3.3345	2.6382	2.6382	2.6382	2.6382
C2	1.4617		2.3826	1.5183	3.7131	1.0614	1.0614	2.5955	2.5955	2.1225	4.4930	2.1300	2.1300	3.9947	3.9947
C3	1.4617	2.3826		3.7131	1.5183	2.5955	2.5955	1.0614	1.0614	4.4930	2.1225	3.9947	3.9947	2.1300	2.1300
C4	2.4102	1.5183	3.7131		4.8190	2.1380	2.1380	3.9897	3.9897	1.0640	5.7315	1.0672	1.0672	4.9232	4.9232
C5	2.4102	3.7131	1.5183	4.8190		3.9897	3.9897	2.1380	2.1380	5.7315	1.0640	4.9232	4.9232	1.0672	1.0672
H6	2.0646	1.0614	2.5955	2.1380	3.9897		1.7372	2.3546	2.9260	2.4635	4.6439	3.0112	2.4598	4.1637	4.5115
H7	2.0646	1.0614	2.5955	2.1380	3.9897	1.7372		2.9260	2.3546	2.4635	4.6439	2.4598	3.0112	4.5115	4.1637
H8	2.0646	2.5955	1.0614	3.9897	2.1380	2.3546	2.9260		1.7372	4.6439	2.4635	4.5115	4.1637	2.4598	3.0112
H9	2.0646	2.5955	1.0614	3.9897	2.1380	2.9260	2.3546	1.7372		4.6439	2.4635	4.1637	4.5115	3.0112	2.4598
H10	3.3345	2.1225	4.4930	1.0640	5.7315	2.4635	2.4635	4.6439	4.6439		6.5819	1.7415	1.7415	5.8807	5.8807
H11	3.3345	4.4930	2.1225	5.7315	1.0640	4.6439	4.6439	2.4635	2.4635	6.5819		5.8807	5.8807	1.7415	1.7415
H12	2.6382	2.1300	3.9947	1.0672	4.9232	3.0112	2.4598	4.5115	4.1637	1.7415	5.8807		1.7368	5.0984	4.7934
H13	2.6382	2.1300	3.9947	1.0672	4.9232	2.4598	3.0112	4.1637	4.5115	1.7415	5.8807	1.7368		4.7934	5.0984
H14	2.6382	3.9947	2.1300	4.9232	1.0672	4.1637	4.5115	2.4598	3.0112	5.8807	1.7415	5.0984	4.7934		1.7368
H15	2.6382	3.9947	2.1300	4.9232	1.0672	4.5115	4.1637	3.0112	2.4598	5.8807	1.7415	4.7934	5.0984	1.7368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	107.943	O1	C2	H6	108.794
O1	C2	H7	108.794	O1	C3	C5	107.943
O1	C3	H8	108.794	O1	C3	H9	108.794
C2	O1	C3	109.175	C2	C4	H10	109.296
C2	C4	H12	109.709	C2	C4	H13	109.709
C3	C5	H11	109.296	C3	C5	H14	109.709
C3	C5	H15	109.709	C4	C2	H6	110.702
C4	C2	H7	110.702	C5	C3	H8	110.702
C5	C3	H9	110.702	H6	C2	H7	109.843
H8	C3	H9	109.843	H10	C4	H12	109.598
H10	C4	H13	109.598	H11	C5	H14	109.598
H11	C5	H15	109.598	H12	C4	H13	108.917
H14	C5	H15	108.917

All results from a given calculation for C₄H₁₀O (Ethoxy ethane)

using model chemistry: wB97X-D/cc-pVTZ

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	O	-0.294
2	C	0.042
3	C	0.042
4	C	-0.249
5	C	-0.249
6	H	0.049
7	H	0.049
8	H	0.049
9	H	0.049
10	H	0.077
11	H	0.077
12	H	0.089
13	H	0.089
14	H	0.089
15	H	0.089

<r²>	175.565
(<r²>)^1/2	13.250

All results from a given calculation for C4H10O (Ethoxy ethane)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₁₀O (Ethoxy ethane)