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	hartrees
Energy at 0K	-726.808018
Energy at 298.15K	-726.814337
HF Energy	-725.836667
Nuclear repulsion energy	292.345084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3045	21.79
2	A	3194	3027	13.11
3	A	3189	3023	1.19
4	A	3127	2964	11.75
5	A	3102	2940	10.34
6	A	1866	1769	494.03
7	A	1545	1465	6.29
8	A	1526	1447	4.89
9	A	1503	1424	6.63
10	A	1458	1382	21.87
11	A	1423	1349	6.66
12	A	1325	1256	1.37
13	A	1206	1143	513.84
14	A	1204	1141	3.68
15	A	1160	1099	24.96
16	A	1065	1009	82.13
17	A	944	895	102.46
18	A	845	801	0.18
19	A	659	625	14.30
20	A	657	623	82.12
21	A	535	507	2.54
22	A	457	433	14.14
23	A	337	320	4.57
24	A	262	249	0.56
25	A	200	190	0.09
26	A	100	95	0.73
27	A	88	83	0.91

Atom	x (Å)	y (Å)	z (Å)
O1	-0.553	0.504	-0.380
H2	-1.427	0.104	1.457
H3	-1.138	-1.329	0.445
C4	-1.446	-0.285	0.437
H5	-3.155	0.878	-0.155
H6	-3.539	-0.738	0.464
H7	-2.857	-0.551	-1.161
C8	-2.841	-0.164	-0.144
O9	1.331	1.604	0.128
Cl10	1.599	-0.933	-0.048
C11	0.740	0.555	0.004

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0729	2.0936	1.4440	2.6383	3.3416	2.6516	2.3948	2.2402	2.6089	1.3502
H2	2.0729		1.7783	1.0922	2.4866	2.4806	3.0546	2.1526	3.4089	3.5349	2.6477
H3	2.0936	1.7783		1.0889	3.0502	2.4726	2.4786	2.1460	3.8469	2.8090	2.6966
C4	1.4440	1.0922	1.0889		2.1507	2.1415	2.1487	1.5160	3.3723	3.1502	2.3812
H5	2.6383	2.4866	3.0502	2.1507		1.7726	1.7735	1.0888	4.5533	5.0885	3.9120
H6	3.3416	2.4806	2.4726	2.1415	1.7726		1.7727	1.0888	5.4138	5.1666	4.4934
H7	2.6516	3.0546	2.4786	2.1487	1.7735	1.7727		1.0888	4.8833	4.6090	3.9398
C8	2.3948	2.1526	2.1460	1.5160	1.0888	1.0888	1.0888		4.5392	4.5070	3.6556
O9	2.2402	3.4089	3.8469	3.3723	4.5533	5.4138	4.8833	4.5392		2.5565	1.2104
Cl10	2.6089	3.5349	2.8090	3.1502	5.0885	5.1666	4.6090	4.5070	2.5565		1.7182
C11	1.3502	2.6477	2.6966	2.3812	3.9120	4.4934	3.9398	3.6556	1.2104	1.7182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.841	O1	C4	H3	110.718
O1	C4	C8	107.982	O1	C11	O9	121.964
O1	C11	Cl10	115.955	H2	C4	H3	109.246
H2	C4	C8	110.181	H3	C4	C8	109.856
C4	O1	C11	116.859	C4	C8	H5	110.228
C4	C8	H6	109.502	C4	C8	H7	110.070
H5	C8	H6	108.979	H5	C8	H7	109.057
H6	C8	H7	108.979	O9	C11	Cl10	120.623

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

using model chemistry: MP2/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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All results from a given calculation for C3H5ClO2 (Carbonochloridic acid, ethyl ester)

using model chemistry: MP2/TZVP

States and conformations

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