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	hartrees
Energy at 0K	-728.029059
Energy at 298.15K	-728.035068
Nuclear repulsion energy	287.945721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3056	3047	27.71
2	A	3035	3026	18.14
3	A	3031	3022	0.33
4	A	2996	2987	8.44
5	A	2975	2966	11.71
6	A	1811	1806	441.97
7	A	1479	1475	3.50
8	A	1463	1458	6.30
9	A	1451	1447	6.71
10	A	1385	1381	7.75
11	A	1358	1354	8.07
12	A	1263	1259	1.15
13	A	1137	1134	3.05
14	A	1115	1111	325.31
15	A	1083	1079	153.60
16	A	974	971	36.97
17	A	872	870	110.87
18	A	803	801	1.23
19	A	634	632	11.13
20	A	596	595	85.76
21	A	500	499	4.55
22	A	398	397	22.18
23	A	311	311	6.27
24	A	244	243	0.39
25	A	181	180	0.16
26	A	112	112	0.50
27	A	65	65	0.79

Atom	x (Å)	y (Å)	z (Å)
O1	0.563	0.697	-0.001
H2	1.173	-1.102	-0.891
H3	1.172	-1.101	0.892
C4	1.412	-0.514	0.000
H5	3.069	0.570	-0.890
H6	3.524	-0.899	0.001
H7	3.068	0.571	0.890
C8	2.854	-0.031	0.000
O9	-1.473	1.636	0.000
Cl10	-1.511	-1.026	-0.000
C11	-0.772	0.670	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0978	2.0978	1.4791	2.6621	3.3636	2.6621	2.4036	2.2415	2.6963	1.3346
H2	2.0978		1.7824	1.0941	2.5284	2.5225	3.0927	2.1837	3.9100	2.8289	2.7777
H3	2.0978	1.7824		1.0941	3.0928	2.5226	2.5282	2.1837	3.9091	2.8288	2.7771
C4	1.4791	1.0941	1.0941		2.1709	2.1463	2.1708	1.5205	3.5977	2.9679	2.4842
H5	2.6621	2.5284	3.0928	2.1709		1.7776	1.7800	1.0953	4.7488	4.9312	3.9432
H6	3.3636	2.5225	2.5226	2.1463	1.7776		1.7776	1.0969	5.6025	5.0365	4.5729
H7	2.6621	3.0927	2.5282	2.1708	1.7800	1.7776		1.0954	4.7482	4.9311	3.9429
C8	2.4036	2.1837	2.1837	1.5205	1.0953	1.0969	1.0954		4.6361	4.4771	3.6924
O9	2.2415	3.9100	3.9091	3.5977	4.7488	5.6025	4.7482	4.6361		2.6621	1.1931
Cl10	2.6963	2.8289	2.8288	2.9679	4.9312	5.0365	4.9311	4.4771	2.6621		1.8508
C11	1.3346	2.7777	2.7771	2.4842	3.9432	4.5729	3.9429	3.6924	1.1931	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.299	O1	C4	H3	108.294
O1	C4	C8	106.502	O1	C11	O9	124.857
O1	C11	Cl10	114.693	H2	C4	H3	109.086
H2	C4	C8	112.242	H3	C4	C8	112.245
C4	O1	C11	123.913	C4	C8	H5	111.135
C4	C8	H6	109.096	C4	C8	H7	111.128
H5	C8	H6	108.360	H5	C8	H7	108.688
H6	C8	H7	108.351	O9	C11	Cl10	120.450

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

using model chemistry: BLYP/cc-pVTZ

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	-0.167
2	H	0.102
3	H	0.102
4	C	0.027
5	H	0.103
6	H	0.093
7	H	0.103
8	C	-0.262
9	O	-0.195
10	Cl	-0.163
11	C	0.257

	x	y	z	Total
	3.443	-1.976	0.000	3.970
CHELPG
AIM
ESP

<r²>	238.537
(<r²>)^1/2	15.445

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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