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	hartrees
Energy at 0K	-232.430934
Energy at 298.15K	-232.439254
Nuclear repulsion energy	174.577876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3144	5.76
2	A	3189	3051	0.06
3	A	3151	3014	26.76
4	A	3148	3012	29.53
5	A	3147	3010	15.84
6	A	3067	2934	15.65
7	A	3055	2923	41.64
8	A	3016	2885	55.45
9	A	1734	1659	175.53
10	A	1529	1463	8.83
11	A	1505	1440	2.77
12	A	1484	1419	7.41
13	A	1448	1385	13.60
14	A	1421	1360	58.20
15	A	1396	1336	22.23
16	A	1346	1287	8.41
17	A	1311	1255	0.65
18	A	1244	1190	264.31
19	A	1185	1134	8.21
20	A	1170	1119	128.30
21	A	1108	1060	12.99
22	A	998	954	4.69
23	A	985	943	22.78
24	A	867	829	4.79
25	A	848	812	57.53
26	A	825	789	2.72
27	A	711	680	5.33
28	A	500	479	2.93
29	A	439	420	1.72
30	A	256	245	0.59
31	A	208	199	0.26
32	A	88	84	3.21
33	A	20	19	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	2.436	-0.292	0.017
H2	2.482	-1.372	0.075
H3	3.358	0.270	-0.010
C4	1.273	0.345	-0.029
H5	1.216	1.430	-0.087
O6	0.085	-0.299	-0.019
C7	-1.064	0.534	0.042
H8	-1.055	1.238	-0.800
H9	-1.049	1.118	0.971
C10	-2.286	-0.349	-0.015
H11	-2.300	-0.924	-0.942
H12	-2.291	-1.048	0.823
H13	-3.193	0.256	0.033

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0820	1.0802	1.3275	2.1137	2.3519	3.5968	3.8984	3.8788	4.7225	4.8730	4.8541	5.6562
H2	1.0820		1.8628	2.1026	3.0794	2.6284	4.0264	4.4821	4.4124	4.8774	4.9093	4.8418	5.9046
H3	1.0802	1.8628		2.0869	2.4373	3.3225	4.4303	4.5864	4.5937	5.6777	5.8568	5.8597	6.5515
C4	1.3275	2.1026	2.0869		1.0887	1.3511	2.3454	2.6095	2.6431	3.6254	3.8991	3.9193	4.4672
H5	2.1137	3.0794	2.4373	1.0887		2.0677	2.4533	2.3879	2.5194	3.9287	4.3166	4.3894	4.5647
O6	2.3519	2.6284	3.3225	1.3511	2.0677		1.4205	2.0666	2.0668	2.3710	2.6318	2.6290	3.3251
C7	3.5968	4.0264	4.4303	2.3454	2.4533	1.4205		1.0972	1.0970	1.5087	2.1494	2.1491	2.1474
H8	3.8984	4.4821	4.5864	2.6095	2.3879	2.0666	1.0972		1.7748	2.1568	2.4989	3.0640	2.4964
H9	3.8788	4.4124	4.5937	2.6431	2.5194	2.0668	1.0970	1.7748		2.1567	3.0641	2.5006	2.4939
C10	4.7225	4.8774	5.6777	3.6254	3.9287	2.3710	1.5087	2.1568	2.1567		1.0910	1.0909	1.0918
H11	4.8730	4.9093	5.8568	3.8991	4.3166	2.6318	2.1494	2.4989	3.0641	1.0910		1.7690	1.7723
H12	4.8541	4.8418	5.8597	3.9193	4.3894	2.6290	2.1491	3.0640	2.5006	1.0909	1.7690		1.7720
H13	5.6562	5.9046	6.5515	4.4672	4.5647	3.3251	2.1474	2.4964	2.4939	1.0918	1.7723	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	121.733	C1	C4	O6	122.807
H2	C1	H3	118.977	H2	C1	C4	121.198
H3	C1	C4	119.825	C4	O6	C7	115.584
H5	C4	O6	115.458	O6	C7	H8	109.670
O6	C7	H9	109.694	O6	C7	C10	108.045
C7	C10	H11	110.515	C7	C10	H12	110.494
C7	C10	H13	110.304	H8	C7	H9	107.970
H8	C7	C10	110.727	H9	C7	C10	110.731
H11	C10	H12	108.338	H11	C10	H13	108.575
H12	C10	H13	108.550

All results from a given calculation for C₂H₃OC₂H₅ (Ethene, ethoxy-)

using model chemistry: mPW1PW91/6-311G**

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	-0.302
2	H	0.126
3	H	0.122
4	C	0.067
5	H	0.097
6	O	-0.320
7	C	-0.064
8	H	0.118
9	H	0.120
10	C	-0.350
11	H	0.133
12	H	0.134
13	H	0.120

	x	y	z	Total
	-1.154	1.362	0.028	1.785
CHELPG
AIM
ESP

	x	y	z
x	10.550	-0.808	0.032
y	-0.808	6.906	-0.063
z	0.032	-0.063	5.303

<r²>	161.154
(<r²>)^1/2	12.695

All results from a given calculation for C2H3OC2H5 (Ethene, ethoxy-)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₃OC₂H₅ (Ethene, ethoxy-)