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	hartrees
Energy at 0K	-719.313850
Energy at 298.15K	-719.319289
Nuclear repulsion energy	278.498724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3390	3136	0.46
2	A	3382	3129	0.15
3	A	3312	3064	1.11
4	A	3222	2981	0.12
5	A	3202	2963	1.01
6	A	1829	1692	101.04
7	A	1632	1510	3.36
8	A	1619	1498	4.49
9	A	1580	1462	9.42
10	A	1515	1402	1.37
11	A	1388	1284	29.23
12	A	1301	1204	0.04
13	A	1166	1079	11.08
14	A	1160	1073	5.31
15	A	1116	1032	227.18
16	A	1035	958	44.85
17	A	926	857	47.18
18	A	834	772	1.73
19	A	616	570	55.04
20	A	523	483	7.84
21	A	486	450	1.91
22	A	400	370	4.31
23	A	296	273	3.91
24	A	199	184	0.33
25	A	184	171	1.34
26	A	104	97	0.71
27	A	55	51	0.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.605	0.820	-0.000
H2	1.136	-1.074	-0.910
H3	1.136	-1.074	0.909
C4	1.397	-0.478	-0.000
H5	3.139	0.543	-0.902
H6	3.534	-0.968	0.000
H7	3.139	0.543	0.903
C8	2.904	-0.055	0.000
O9	-1.583	1.687	0.000
Cl10	-1.483	-1.120	-0.000
C11	-0.810	0.702	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1669	2.1669	1.5206	2.7042	3.4312	2.7042	2.4595	2.3539	2.8503	1.4203
H2	2.1669		1.8189	1.1181	2.5742	2.5665	3.1480	2.2336	3.9807	2.7729	2.7874
H3	2.1669	1.8189		1.1181	3.1480	2.5665	2.5742	2.2336	3.9805	2.7727	2.7874
C4	1.5206	1.1181	1.1181		2.2118	2.1921	2.2118	1.5648	3.6838	2.9508	2.5031
H5	2.7042	2.5742	3.1480	2.2118		1.8037	1.8052	1.1082	4.9422	4.9946	4.0544
H6	3.4312	2.5665	2.5665	2.1921	1.8037		1.8037	1.1090	5.7648	5.0190	4.6540
H7	2.7042	3.1480	2.5742	2.2118	1.8052	1.8037		1.1082	4.9421	4.9945	4.0545
C8	2.4595	2.2336	2.2336	1.5648	1.1082	1.1090	1.1082		4.8133	4.5141	3.7904
O9	2.3539	3.9807	3.9805	3.6838	4.9422	5.7648	4.9421	4.8133		2.8093	1.2521
Cl10	2.8503	2.7729	2.7727	2.9508	4.9946	5.0190	4.9945	4.5141	2.8093		1.9425
C11	1.4203	2.7874	2.7874	2.5031	4.0544	4.6540	4.0545	3.7904	1.2521	1.9425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.467	O1	C4	H3	109.468
O1	C4	C8	105.713	O1	C11	O9	123.355
O1	C11	Cl10	115.018	H2	C4	H3	108.851
H2	C4	C8	111.639	H3	C4	C8	111.639
C4	O1	C11	116.631	C4	C8	H5	110.517
C4	C8	H6	108.943	C4	C8	H7	110.517
H5	C8	H6	108.877	H5	C8	H7	109.074
H6	C8	H7	108.877	O9	C11	Cl10	121.627

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

using model chemistry: BLYP/STO-3G

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	-0.111
2	H	0.101
3	H	0.101
4	C	-0.037
5	H	0.089
6	H	0.090
7	H	0.089
8	C	-0.215
9	O	-0.129
10	Cl	-0.202
11	C	0.224

	x	y	z	Total
	3.313	-0.265	-0.000	3.324
CHELPG
AIM
ESP

	x	y	z
x	5.834	-0.075	0.000
y	-0.075	5.133	0.000
z	0.000	0.000	2.089

<r²>	246.961
(<r²>)^1/2	15.715

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

using model chemistry: BLYP/STO-3G

States and conformations

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