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	hartrees
Energy at 0K	-719.462377
Energy at 298.15K	-719.468181
Nuclear repulsion energy	284.390159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3525	3113	0.04
2	A	3520	3108	0.41
3	A	3444	3041	0.20
4	A	3349	2957	0.20
5	A	3334	2944	0.98
6	A	1969	1739	148.43
7	A	1673	1477	4.32
8	A	1659	1465	5.09
9	A	1631	1440	9.28
10	A	1563	1380	5.75
11	A	1465	1293	26.57
12	A	1366	1206	0.09
13	A	1257	1110	160.81
14	A	1216	1074	7.15
15	A	1208	1066	103.65
16	A	1115	984	71.47
17	A	984	869	50.66
18	A	872	770	1.87
19	A	671	593	63.20
20	A	575	508	13.74
21	A	519	459	1.65
22	A	441	390	2.73
23	A	322	284	4.50
24	A	213	188	0.37
25	A	208	184	0.93
26	A	102	90	0.96
27	A	93	82	0.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.586	0.797	-0.000
H2	1.119	-1.057	-0.899
H3	1.119	-1.057	0.898
C4	1.369	-0.459	-0.000
H5	3.089	0.549	-0.893
H6	3.478	-0.948	0.000
H7	3.088	0.549	0.894
C8	2.854	-0.044	0.000
O9	-1.567	1.641	0.000
Cl10	-1.446	-1.094	0.000
C11	-0.800	0.679	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1279	2.1279	1.4802	2.6692	3.3777	2.6692	2.4191	2.3121	2.7753	1.3903
H2	2.1279		1.7971	1.1079	2.5415	2.5269	3.1098	2.2010	3.9116	2.7178	2.7389
H3	2.1279	1.7971		1.1079	3.1098	2.5269	2.5415	2.2010	3.9114	2.7176	2.7389
C4	1.4802	1.1079	1.1079		2.1843	2.1648	2.1843	1.5418	3.6097	2.8856	2.4492
H5	2.6692	2.5415	3.1098	2.1843		1.7860	1.7871	1.0977	4.8645	4.9050	3.9917
H6	3.3777	2.5269	2.5269	2.1648	1.7860		1.7861	1.0982	5.6702	4.9259	4.5765
H7	2.6692	3.1098	2.5415	2.1843	1.7871	1.7861		1.0977	4.8645	4.9049	3.9918
C8	2.4191	2.2010	2.2010	1.5418	1.0977	1.0982	1.0977		4.7310	4.4261	3.7245
O9	2.3121	3.9116	3.9114	3.6097	4.8645	5.6702	4.8645	4.7310		2.7381	1.2306
Cl10	2.7753	2.7178	2.7176	2.8856	4.9050	4.9259	4.9049	4.4261	2.7381		1.8872
C11	1.3903	2.7389	2.7389	2.4492	3.9917	4.5765	3.9918	3.7245	1.2306	1.8872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.773	O1	C4	H3	109.773
O1	C4	C8	106.340	O1	C11	O9	123.696
O1	C11	Cl10	114.881	H2	C4	H3	108.388
H2	C4	C8	111.276	H3	C4	C8	111.276
C4	O1	C11	117.098	C4	C8	H5	110.564
C4	C8	H6	109.005	C4	C8	H7	110.564
H5	C8	H6	108.844	H5	C8	H7	108.980
H6	C8	H7	108.844	O9	C11	Cl10	121.422

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

using model chemistry: B1B95/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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All results from a given calculation for C3H5ClO2 (Carbonochloridic acid, ethyl ester)

using model chemistry: B1B95/STO-3G

States and conformations

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