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	hartrees
Energy at 0K	-726.618327
Energy at 298.15K	-726.624705
HF Energy	-725.720223
Nuclear repulsion energy	292.716352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3019	22.28
2	A	3202	3006	14.14
3	A	3190	2994	5.03
4	A	3136	2943	11.58
5	A	3119	2928	9.61
6	A	1966	1845	524.87
7	A	1580	1483	3.98
8	A	1558	1462	4.05
9	A	1545	1450	6.82
10	A	1488	1397	18.09
11	A	1445	1356	7.78
12	A	1344	1262	0.59
13	A	1264	1187	551.10
14	A	1220	1145	4.71
15	A	1185	1113	30.12
16	A	1095	1027	78.90
17	A	970	910	77.05
18	A	852	800	0.46
19	A	688	646	23.66
20	A	686	644	67.50
21	A	548	515	3.11
22	A	480	450	5.91
23	A	340	319	4.47
24	A	271	254	0.62
25	A	200	188	0.05
26	A	100	94	0.68
27	A	91	85	0.88

Atom	x (Å)	y (Å)	z (Å)
O1	0.556	0.678	-0.000
H2	1.163	-1.103	-0.888
H3	1.163	-1.102	0.889
C4	1.386	-0.508	0.000
H5	3.014	0.590	-0.888
H6	3.499	-0.871	0.000
H7	3.014	0.591	0.887
C8	2.818	-0.015	0.000
O9	-1.463	1.599	0.000
Cl10	-1.482	-0.998	-0.000
C11	-0.773	0.631	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0806	2.0805	1.4475	2.6151	3.3255	2.6151	2.3654	2.2190	2.6386	1.3298
H2	2.0806		1.7774	1.0926	2.5091	2.5103	3.0743	2.1707	3.8709	2.7918	2.7469
H3	2.0805	1.7774		1.0926	3.0743	2.5103	2.5092	2.1708	3.8703	2.7919	2.7466
C4	1.4475	1.0926	1.0926		2.1553	2.1437	2.1553	1.5139	3.5433	2.9097	2.4414
H5	2.6151	2.5091	3.0743	2.1553		1.7772	1.7754	1.0924	4.6746	4.8504	3.8902
H6	3.3255	2.5103	2.5103	2.1437	1.7772		1.7772	1.0939	5.5424	4.9824	4.5284
H7	2.6151	3.0743	2.5092	2.1553	1.7754	1.7772		1.0924	4.6741	4.8506	3.8900
C8	2.3654	2.1707	2.1708	1.5139	1.0924	1.0939	1.0924		4.5746	4.4105	3.6484
O9	2.2190	3.8709	3.8703	3.5433	4.6746	5.5424	4.6741	4.5746		2.5969	1.1880
Cl10	2.6386	2.7918	2.7919	2.9097	4.8504	4.9824	4.8506	4.4105	2.5969		1.7772
C11	1.3298	2.7469	2.7466	2.4414	3.8902	4.5284	3.8900	3.6484	1.1880	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.196	O1	C4	H3	109.190
O1	C4	C8	105.996	O1	C11	O9	123.505
O1	C11	Cl10	115.507	H2	C4	H3	108.859
H2	C4	C8	111.761	H3	C4	C8	111.761
C4	O1	C11	122.998	C4	C8	H5	110.526
C4	C8	H6	109.519	C4	C8	H7	110.529
H5	C8	H6	108.757	H5	C8	H7	108.709
H6	C8	H7	108.756	O9	C11	Cl10	120.988

All results from a given calculation for C₃H₅ClO₂ (Carbonochloridic acid, ethyl ester)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for C3H5ClO2 (Carbonochloridic acid, ethyl ester)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₅ClO₂ (Carbonochloridic acid, ethyl ester)