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	hartrees
Energy at 0K	-232.435153
Energy at 298.15K	-232.443620
HF Energy	-232.435153
Nuclear repulsion energy	174.552013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3139	4.74
2	A	3191	3048	0.08
3	A	3159	3016	24.39
4	A	3152	3010	27.40
5	A	3148	3006	16.05
6	A	3073	2934	15.71
7	A	3061	2923	39.23
8	A	3020	2884	54.07
9	A	1740	1662	185.01
10	A	1540	1471	9.11
11	A	1517	1449	2.85
12	A	1491	1424	7.03
13	A	1457	1391	9.67
14	A	1431	1366	59.21
15	A	1404	1341	24.47
16	A	1357	1296	7.08
17	A	1316	1257	0.71
18	A	1246	1190	264.36
19	A	1194	1140	13.03
20	A	1172	1119	127.16
21	A	1109	1059	17.06
22	A	1001	956	11.26
23	A	998	953	17.86
24	A	874	835	51.14
25	A	869	830	21.16
26	A	842	805	2.26
27	A	717	685	7.28
28	A	509	486	2.51
29	A	445	425	1.75
30	A	263	251	0.64
31	A	214	205	0.34
32	A	88	84	3.31
33	A	68	65	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.434	-0.289	0.034
H2	-2.479	-1.364	0.144
H3	-3.357	0.271	-0.008
C4	-1.276	0.345	-0.056
H5	-1.215	1.425	-0.162
O6	-0.087	-0.306	-0.043
C7	1.061	0.528	0.079
H8	1.032	1.048	1.043
H9	1.050	1.284	-0.715
C10	2.293	-0.341	-0.025
H11	2.296	-1.093	0.764
H12	2.319	-0.850	-0.989
H13	3.194	0.267	0.072

	C1	H2	H3	C4	H5	O6	C7	H8	H9	C10	H11	H12	H13
C1		1.0818	1.0802	1.3228	2.1127	2.3482	3.5893	3.8490	3.8956	4.7279	4.8533	4.8943	5.6557
H2	1.0818		1.8622	2.0993	3.0779	2.6222	4.0145	4.3533	4.4951	4.8837	4.8231	4.9568	5.9036
H3	1.0802	1.8622		2.0821	2.4378	3.3202	4.4258	4.5787	4.5767	5.6829	5.8662	5.8679	6.5512
C4	1.3228	2.0993	2.0821		1.0875	1.3557	2.3482	2.6511	2.5942	3.6350	3.9374	3.9019	4.4730
H5	2.1127	3.0779	2.4378	1.0875		2.0696	2.4581	2.5774	2.3360	3.9300	4.4192	4.2834	4.5646
O6	2.3482	2.6222	3.3202	1.3557	2.0696		1.4242	2.0649	2.0670	2.3807	2.6366	2.6420	3.3330
C7	3.5893	4.0145	4.4258	2.3482	2.4581	1.4242		1.0958	1.0962	1.5114	2.1504	2.1496	2.1492
H8	3.8490	4.3533	4.5787	2.6511	2.5774	2.0649	1.0958		1.7744	2.1586	2.5020	3.0635	2.4957
H9	3.8956	4.4951	4.5767	2.5942	2.3360	2.0670	1.0962	1.7744		2.1588	3.0643	2.4971	2.4996
C10	4.7279	4.8837	5.6829	3.6350	3.9300	2.3807	1.5114	2.1586	2.1588		1.0900	1.0902	1.0913
H11	4.8533	4.8231	5.8662	3.9374	4.4192	2.6366	2.1504	2.5020	3.0643	1.0900		1.7695	1.7711
H12	4.8943	4.9568	5.8679	3.9019	4.2834	2.6420	2.1496	3.0635	2.4971	1.0902	1.7695		1.7713
H13	5.6557	5.9036	6.5512	4.4730	4.5646	3.3330	2.1492	2.4957	2.4996	1.0913	1.7711	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	122.152	C1	C4	O6	122.480
H2	C1	H3	118.935	H2	C1	C4	121.304
H3	C1	C4	119.759	C4	O6	C7	115.260
H5	C4	O6	115.360	O6	C7	H8	109.362
O6	C7	H9	109.502	O6	C7	C10	108.344
C7	C10	H11	110.454	C7	C10	H12	110.385
C7	C10	H13	110.282	H8	C7	H9	108.091
H8	C7	C10	110.769	H9	C7	C10	110.757
H11	C10	H12	108.512	H11	C10	H13	108.568
H12	C10	H13	108.582

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

using model chemistry: wB97X-D/TZVP

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	-0.327
2	H	0.132
3	H	0.127
4	C	0.007
5	H	0.098
6	O	-0.200
7	C	-0.088
8	H	0.115
9	H	0.107
10	C	-0.341
11	H	0.129
12	H	0.128
13	H	0.114

	x	y	z	Total
	1.162	1.413	0.070	1.831
CHELPG
AIM
ESP

	x	y	z
x	10.779	0.866	-0.075
y	0.866	7.203	-0.085
z	-0.075	-0.085	6.050

<r²>	161.356
(<r²>)^1/2	12.703

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

using model chemistry: wB97X-D/TZVP

States and conformations

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