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	hartrees
Energy at 0K	-66.295316
Energy at 298.15K	-66.301607
HF Energy	-65.450424
Nuclear repulsion energy	127.995689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3065	40.81
2	A	3208	3046	0.00
3	A	3204	3042	22.29
4	A	3137	2978	18.62
5	A	3105	2948	16.57
6	A	1852	1759	496.89
7	A	1537	1459	3.49
8	A	1523	1446	3.17
9	A	1512	1435	7.19
10	A	1461	1387	23.38
11	A	1411	1340	11.28
12	A	1320	1254	0.09
13	A	1199	1138	514.12
14	A	1192	1132	5.41
15	A	1156	1098	41.74
16	A	1059	1006	82.79
17	A	937	890	99.07
18	A	836	794	0.84
19	A	658	625	14.87
20	A	653	620	78.99
21	A	524	498	3.54
22	A	458	434	9.48
23	A	329	313	5.00
24	A	271	257	0.50
25	A	199	189	0.09
26	A	107	101	0.33
27	A	103	98	1.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.212	-0.585	-0.001
H2	1.050	1.119	0.899
H3	1.052	1.117	-0.902
C4	1.202	0.502	-0.001
H5	2.678	-0.822	0.899
H6	3.361	0.574	0.001
H7	2.680	-0.824	-0.896
C8	2.567	-0.193	0.001
O9	-1.957	-1.214	0.001
Cl10	-1.569	1.396	0.000
C11	-1.111	-0.344	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1012	2.1011	1.4701	2.6358	3.3556	2.6358	2.3869	2.2582	2.6638	1.3446
H2	2.1012		1.8004	1.1014	2.5333	2.5384	3.1063	2.1969	3.9101	2.7828	2.7600
H3	2.1011	1.8004		1.1013	3.1062	2.5382	2.5330	2.1968	3.9120	2.7864	2.7620
C4	1.4701	1.1014	1.1013		2.1776	2.1604	2.1775	1.5313	3.5947	2.9118	2.4628
H5	2.6358	2.5333	3.1062	2.1776		1.7950	1.7951	1.1022	4.7372	4.8749	3.9232
H6	3.3556	2.5384	2.5382	2.1604	1.7950		1.7950	1.1044	5.6104	4.9984	4.5653
H7	2.6358	3.1063	2.5330	2.1775	1.7951	1.7950		1.1022	4.7387	4.8768	3.9245
C8	2.3869	2.1969	2.1968	1.5313	1.1022	1.1044	1.1022		4.6371	4.4305	3.6805
O9	2.2582	3.9101	3.9120	3.5947	4.7372	5.6104	4.7387	4.6371		2.6381	1.2132
Cl10	2.6638	2.7828	2.7864	2.9118	4.8749	4.9984	4.8768	4.4305	2.6381		1.7993
C11	1.3446	2.7600	2.7620	2.4628	3.9232	4.5653	3.9245	3.6805	1.2132	1.7993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.750	O1	C4	H3	108.751
O1	C4	C8	105.341	O1	C11	O9	123.899
O1	C11	Cl10	115.073	H2	C4	H3	109.645
H2	C4	C8	112.091	H3	C4	C8	112.083
C4	O1	C11	122.018	C4	C8	H5	110.498
C4	C8	H6	109.024	C4	C8	H7	110.490
H5	C8	H6	108.876	H5	C8	H7	109.046
H6	C8	H7	108.871	O9	C11	Cl10	121.028

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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