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	hartrees
Energy at 0K	-233.484725
Energy at 298.15K	-233.495923
HF Energy	-233.484725
Nuclear repulsion energy	190.665077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3011	32.66
2	A₁	3055	2936	8.15
3	A₁	2974	2858	108.97
4	A₁	1532	1473	2.98
5	A₁	1496	1438	3.75
6	A₁	1451	1394	5.99
7	A₁	1397	1342	1.32
8	A₁	1190	1143	23.09
9	A₁	1078	1036	13.01
10	A₁	866	833	5.56
11	A₁	444	426	0.06
12	A₁	194	186	0.58
13	A₂	3133	3011	0.00
14	A₂	2995	2878	0.00
15	A₂	1477	1419	0.00
16	A₂	1296	1245	0.00
17	A₂	1169	1124	0.00
18	A₂	815	783	0.00
19	A₂	245	235	0.00
20	A₂	107	103	0.00
21	B₁	3133	3012	51.42
22	B₁	2991	2874	115.80
23	B₁	1477	1420	13.32
24	B₁	1301	1251	4.57
25	B₁	1200	1154	11.65
26	B₁	827	795	1.12
27	B₁	250	240	1.43
28	B₁	107	103	3.64
29	B₂	3132	3010	15.23
30	B₂	3055	2936	27.20
31	B₂	2963	2847	10.18
32	B₂	1513	1455	2.36
33	B₂	1493	1435	1.98
34	B₂	1409	1354	40.95
35	B₂	1377	1324	24.63
36	B₂	1189	1143	221.33
37	B₂	1105	1062	2.33
38	B₂	955	918	4.03
39	B₂	434	418	3.05

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.264
C2	0.000	1.171	-0.513
C3	0.000	-1.171	-0.513
C4	0.000	2.367	0.406
C5	0.000	-2.367	0.406
H6	0.884	1.188	-1.168
H7	-0.884	1.188	-1.168
H8	0.884	-1.188	-1.168
H9	-0.884	-1.188	-1.168
H10	0.000	3.292	-0.172
H11	0.000	-3.292	-0.172
H12	-0.884	2.358	1.045
H13	0.884	2.358	1.045
H14	0.884	-2.358	1.045
H15	-0.884	-2.358	1.045

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
O1		1.4054	1.4054	2.3709	2.3709	2.0598	2.0598	2.0598	2.0598	3.3210	3.3210	2.6368	2.6368	2.6368	2.6368
C2	1.4054		2.3424	1.5079	3.6553	1.1005	1.1005	2.6029	2.6029	2.1483	4.4764	2.1490	2.1490	3.9580	3.9580
C3	1.4054	2.3424		3.6553	1.5079	2.6029	2.6029	1.1005	1.1005	4.4764	2.1483	3.9580	3.9580	2.1490	2.1490
C4	2.3709	1.5079	3.6553		4.7334	2.1563	2.1563	3.9866	3.9866	1.0912	5.6884	1.0907	1.0907	4.8492	4.8492
C5	2.3709	3.6553	1.5079	4.7334		3.9866	3.9866	2.1563	2.1563	5.6884	1.0912	4.8492	4.8492	1.0907	1.0907
H6	2.0598	1.1005	2.6029	2.1563	3.9866		1.7683	2.3753	2.9612	2.4906	4.6737	3.0650	2.5038	4.1800	4.5385
H7	2.0598	1.1005	2.6029	2.1563	3.9866	1.7683		2.9612	2.3753	2.4906	4.6737	2.5038	3.0650	4.5385	4.1800
H8	2.0598	2.6029	1.1005	3.9866	2.1563	2.3753	2.9612		1.7683	4.6737	2.4906	4.5385	4.1800	2.5038	3.0650
H9	2.0598	2.6029	1.1005	3.9866	2.1563	2.9612	2.3753	1.7683		4.6737	2.4906	4.1800	4.5385	3.0650	2.5038
H10	3.3210	2.1483	4.4764	1.0912	5.6884	2.4906	2.4906	4.6737	4.6737		6.5845	1.7706	1.7706	5.8473	5.8473
H11	3.3210	4.4764	2.1483	5.6884	1.0912	4.6737	4.6737	2.4906	2.4906	6.5845		5.8473	5.8473	1.7706	1.7706
H12	2.6368	2.1490	3.9580	1.0907	4.8492	3.0650	2.5038	4.5385	4.1800	1.7706	5.8473		1.7673	5.0368	4.7166
H13	2.6368	2.1490	3.9580	1.0907	4.8492	2.5038	3.0650	4.1800	4.5385	1.7706	5.8473	1.7673		4.7166	5.0368
H14	2.6368	3.9580	2.1490	4.8492	1.0907	4.1800	4.5385	2.5038	3.0650	5.8473	1.7706	5.0368	4.7166		1.7673
H15	2.6368	3.9580	2.1490	4.8492	1.0907	4.5385	4.1800	3.0650	2.5038	5.8473	1.7706	4.7166	5.0368	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.894	O1	C2	H6	109.969
O1	C2	H7	109.969	O1	C3	C5	108.894
O1	C3	H8	109.969	O1	C3	H9	109.969
C2	O1	C3	112.885	C2	C4	H10	110.469
C2	C4	H12	110.554	C2	C4	H13	110.554
C3	C5	H11	110.469	C3	C5	H14	110.554
C3	C5	H15	110.554	C4	C2	H6	110.544
C4	C2	H7	110.544	C5	C3	H8	110.544
C5	C3	H9	110.544	H6	C2	H7	106.910
H8	C3	H9	106.910	H10	C4	H12	108.481
H10	C4	H13	108.481	H11	C5	H14	108.481
H11	C5	H15	108.481	H12	C4	H13	108.228
H14	C5	H15	108.228

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

using model chemistry: HSEh1PBE/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	-0.276
2	C	0.035
3	C	0.035
4	C	-0.283
5	C	-0.283
6	H	0.049
7	H	0.049
8	H	0.049
9	H	0.049
10	H	0.088
11	H	0.088
12	H	0.100
13	H	0.100
14	H	0.100
15	H	0.100

<r²>	175.372
(<r²>)^1/2	13.243

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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