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	hartrees
Energy at 0K	-721.782023
Energy at 298.15K	-721.788109
Nuclear repulsion energy	287.560924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3103	3052	5.91
2	A	3095	3044	2.89
3	A	3065	3014	1.31
4	A	3015	2966	2.96
5	A	3010	2961	1.78
6	A	1924	1893	350.68
7	A	1506	1481	10.33
8	A	1486	1462	15.83
9	A	1484	1460	14.50
10	A	1407	1384	25.93
11	A	1349	1327	10.02
12	A	1271	1250	0.01
13	A	1170	1151	372.89
14	A	1141	1122	6.68
15	A	1123	1105	9.47
16	A	1031	1014	40.75
17	A	882	868	111.13
18	A	825	811	5.99
19	A	625	615	14.85
20	A	600	591	103.79
21	A	489	481	6.73
22	A	384	378	25.67
23	A	313	307	10.49
24	A	252	248	0.49
25	A	198	195	0.45
26	A	121	119	1.70
27	A	82	81	0.89

Atom	x (Å)	y (Å)	z (Å)
O1	-0.562	0.741	0.000
H2	-1.105	-1.084	0.895
H3	-1.105	-1.084	-0.895
C4	-1.367	-0.495	0.000
H5	-3.002	0.579	0.895
H6	-3.472	-0.902	-0.000
H7	-3.002	0.578	-0.896
C8	-2.796	-0.030	-0.000
O9	1.513	1.657	-0.000
Cl10	1.442	-1.087	0.000
C11	0.759	0.728	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1041	2.1041	1.4746	2.6037	3.3409	2.6037	2.3629	2.2685	2.7128	1.3215
H2	2.1041		1.7906	1.1036	2.5223	2.5364	3.0934	2.1844	3.8950	2.7001	2.7496
H3	2.1041	1.7906		1.1036	3.0934	2.5364	2.5223	2.1844	3.8950	2.7000	2.7496
C4	1.4746	1.1036	1.1036		2.1507	2.1431	2.1507	1.5023	3.5952	2.8712	2.4527
H5	2.6037	2.5223	3.0934	2.1507		1.7930	1.7911	1.1021	4.7273	4.8296	3.8690
H6	3.3409	2.5364	2.5364	2.1431	1.7930		1.7930	1.1031	5.6028	4.9169	4.5336
H7	2.6037	3.0934	2.5223	2.1507	1.7911	1.7930		1.1021	4.7273	4.8295	3.8690
C8	2.3629	2.1844	2.1844	1.5023	1.1021	1.1031	1.1021		4.6273	4.3679	3.6349
O9	2.2685	3.8950	3.8950	3.5952	4.7273	5.6028	4.7273	4.6273		2.7453	1.1967
Cl10	2.7128	2.7001	2.7000	2.8712	4.8296	4.9169	4.8295	4.3679	2.7453		1.9391
C11	1.3215	2.7496	2.7496	2.4527	3.8690	4.5336	3.8690	3.6349	1.1967	1.9391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.541	O1	C4	H3	108.541
O1	C4	C8	105.070	O1	C11	O9	128.466
O1	C11	Cl10	111.192	H2	C4	H3	108.439
H2	C4	C8	113.023	H3	C4	C8	113.023
C4	O1	C11	122.516	C4	C8	H5	110.392
C4	C8	H6	109.741	C4	C8	H7	110.392
H5	C8	H6	108.793	H5	C8	H7	108.689
H6	C8	H7	108.793	O9	C11	Cl10	120.341

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

using model chemistry: LSDA/3-21G

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	O	-0.412
2	H	0.268
3	H	0.268
4	C	-0.249
5	H	0.248
6	H	0.237
7	H	0.248
8	C	-0.653
9	O	-0.340
10	Cl	-0.090
11	C	0.477

	x	y	z	Total
	-3.977	-1.133	0.000	4.135
CHELPG
AIM
ESP

	x	y	z
x	8.411	-0.143	-0.000
y	-0.143	7.674	-0.000
z	-0.000	-0.000	4.115

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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