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	hartrees
Energy at 0K	-65.455485
Energy at 298.15K	-65.461994
Nuclear repulsion energy	129.672452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3360	3017	66.27
2	A	3319	2981	17.52
3	A	3313	2975	66.71
4	A	3292	2957	14.47
5	A	3239	2908	31.94
6	A	2046	1838	809.24
7	A	1651	1483	3.72
8	A	1625	1459	1.01
9	A	1611	1447	4.56
10	A	1575	1415	23.24
11	A	1522	1367	7.35
12	A	1419	1274	1.38
13	A	1335	1198	690.45
14	A	1278	1148	5.97
15	A	1236	1110	51.88
16	A	1133	1018	123.30
17	A	1011	908	82.87
18	A	876	787	0.00
19	A	748	672	34.95
20	A	715	642	84.14
21	A	559	502	5.28
22	A	509	457	8.55
23	A	347	312	5.57
24	A	276	248	0.68
25	A	201	181	0.15
26	A	101	91	0.03
27	A	90	81	1.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.207	-0.541	-0.000
H2	1.059	1.124	0.886
H3	1.059	1.124	-0.886
C4	1.196	0.511	0.000
H5	2.670	-0.806	0.886
H6	3.344	0.575	0.000
H7	2.670	-0.805	-0.886
C8	2.558	-0.181	0.000
O9	-1.892	-1.218	0.000
Cl10	-1.620	1.347	-0.000
C11	-1.092	-0.351	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0693	2.0693	1.4438	2.6313	3.3297	2.6313	2.3782	2.2050	2.6268	1.3124
H2	2.0693		1.7715	1.0860	2.5139	2.5114	3.0754	2.1760	3.8691	2.8299	2.7535
H3	2.0693	1.7715		1.0860	3.0754	2.5113	2.5140	2.1760	3.8693	2.8299	2.7536
C4	1.4438	1.0860	1.0860		2.1657	2.1486	2.1657	1.5273	3.5385	2.9374	2.4445
H5	2.6313	2.5139	3.0754	2.1657		1.7734	1.7716	1.0894	4.6656	4.8808	3.8916
H6	3.3297	2.5114	2.5113	2.1486	1.7734		1.7734	1.0912	5.5340	5.0231	4.5310
H7	2.6313	3.0754	2.5140	2.1657	1.7716	1.7734		1.0894	4.6657	4.8808	3.8917
C8	2.3782	2.1760	2.1760	1.5273	1.0894	1.0912	1.0894		4.5685	4.4481	3.6532
O9	2.2050	3.8691	3.8693	3.5385	4.6656	5.5340	4.6657	4.5685		2.5785	1.1797
Cl10	2.6268	2.8299	2.8299	2.9374	4.8808	5.0231	4.8808	4.4481	2.5785		1.7776
C11	1.3124	2.7535	2.7536	2.4445	3.8916	4.5310	3.8917	3.6532	1.1797	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.939	O1	C4	H3	108.939
O1	C4	C8	106.309	O1	C11	O9	124.368
O1	C11	Cl10	115.626	H2	C4	H3	109.292
H2	C4	C8	111.630	H3	C4	C8	111.630
C4	O1	C11	124.906	C4	C8	H5	110.599
C4	C8	H6	109.148	C4	C8	H7	110.599
H5	C8	H6	108.830	H5	C8	H7	108.794
H6	C8	H7	108.830	O9	C11	Cl10	120.006

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

using model chemistry: HF/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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Number	Element	Mulliken
1	O	-0.199
2	H	0.145
3	H	0.145
4	C	-0.111
5	H	0.123
6	H	0.118
7	H	0.123
8	C	-0.224
9	O	-0.144
10	Cl	-0.118
11	C	0.143

	x	y	z	Total
	3.875	2.400	0.000	4.558
CHELPG
AIM
ESP

	x	y	z
x	7.861	-0.143	0.000
y	-0.143	7.354	0.000
z	0.000	0.000	4.563

<r²>	163.518
(<r²>)^1/2	12.787

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

using model chemistry: HF/CEP-31G*

States and conformations

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