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	hartrees
Energy at 0K	-726.625052
Energy at 298.15K	-726.631398
HF Energy	-725.718623
Nuclear repulsion energy	292.136121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3047	16.82
2	A	3217	3031	10.45
3	A	3207	3021	4.90
4	A	3142	2960	10.48
5	A	3125	2944	7.97
6	A	1892	1782	431.35
7	A	1578	1487	4.01
8	A	1562	1471	5.15
9	A	1549	1460	7.24
10	A	1482	1397	18.48
11	A	1436	1353	10.72
12	A	1340	1263	0.36
13	A	1227	1156	515.87
14	A	1215	1145	4.35
15	A	1175	1107	25.86
16	A	1077	1015	71.77
17	A	952	897	98.84
18	A	853	804	0.70
19	A	673	634	18.90
20	A	660	622	82.60
21	A	540	509	2.71
22	A	462	436	9.75
23	A	338	318	5.04
24	A	278	262	0.59
25	A	199	188	0.09
26	A	107	101	1.02
27	A	92	87	0.60

Atom	x (Å)	y (Å)	z (Å)
O1	0.556	0.684	-0.000
H2	1.162	-1.098	-0.889
H3	1.162	-1.098	0.889
C4	1.388	-0.506	-0.000
H5	3.007	0.598	-0.887
H6	3.497	-0.859	0.000
H7	3.007	0.597	0.887
C8	2.813	-0.007	0.000
O9	-1.481	1.604	0.000
Cl10	-1.469	-1.010	0.000
C11	-0.777	0.635	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0819	2.0819	1.4525	2.6081	3.3219	2.6081	2.3604	2.2349	2.6401	1.3335
H2	2.0819		1.7776	1.0917	2.5059	2.5102	3.0714	2.1691	3.8830	2.7782	2.7478
H3	2.0819	1.7776		1.0917	3.0714	2.5102	2.5059	2.1691	3.8830	2.7782	2.7478
C4	1.4525	1.0917	1.0917		2.1506	2.1385	2.1506	1.5093	3.5617	2.9011	2.4470
H5	2.6081	2.5059	3.0714	2.1506		1.7749	1.7742	1.0911	4.6841	4.8378	3.8864
H6	3.3219	2.5102	2.5102	2.1385	1.7749		1.7749	1.0931	5.5545	4.9684	4.5276
H7	2.6081	3.0714	2.5059	2.1506	1.7742	1.7749		1.0911	4.6841	4.8378	3.8864
C8	2.3604	2.1691	2.1691	1.5093	1.0911	1.0931	1.0911		4.5860	4.3974	3.6463
O9	2.2349	3.8830	3.8830	3.5617	4.6841	5.5545	4.6841	4.5860		2.6146	1.1985
Cl10	2.6401	2.7782	2.7782	2.9011	4.8378	4.9684	4.8378	4.3974	2.6146		1.7844
C11	1.3335	2.7478	2.7478	2.4470	3.8864	4.5276	3.8864	3.6463	1.1985	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.009	O1	C4	H3	109.009
O1	C4	C8	105.665	O1	C11	O9	123.844
O1	C11	Cl10	114.957	H2	C4	H3	109.014
H2	C4	C8	112.015	H3	C4	C8	112.015
C4	O1	C11	122.827	C4	C8	H5	110.561
C4	C8	H6	109.481	C4	C8	H7	110.561
H5	C8	H6	108.703	H5	C8	H7	108.785
H6	C8	H7	108.703	O9	C11	Cl10	121.199

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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